Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 171.594(D) CA :: 57.232(D) CB :: 62.340(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.G2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 L 0.28 D 0.07 F 0.05 K 0.05 G 0.04 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 172.761(D) CA :: 43.121(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.151(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.462(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.21 K 0.15 C 0.1 L 0.1 I 0.07 D 0.05 R 0.01 C Shift Assignments>> C :: 174.622(D) CA :: 58.464(D) CB :: 41.133(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.997(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.346(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 P 0.21 M 0.21 Q 0.11 K 0.06 N 0.03 H 0.03 R 0.02 W 0.01 E 0.01 C Shift Assignments>> C :: 175.087 CA :: 51.309(D) CB :: 34.165(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.839(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.708(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.18 Q 0.17 L 0.14 C 0.13 H 0.12 W 0.1 E 0.08 I 0.01 M 0.01 C Shift Assignments>> C :: 175.025(D) CA :: 55.559(D) CB :: 27.918(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) 1.M6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.22 C 0.19 K 0.15 E 0.05 H 0.04 R 0.03 W 0.02 C Shift Assignments>> C :: 174.180(D) CA :: 54.804(D) CB :: 34.253(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.626(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 128.097(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 G 0.11 C 0.02 C Shift Assignments>> C :: 177.637(D) CA :: 48.787(D) CB :: 19.923(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.598(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.674(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 E 0.21 Y 0.2 F 0.13 I 0.1 M 0.04 N 0.01 K 0.01 C Shift Assignments>> C :: 171.853 CA :: 57.926(D) CB :: 37.213(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.835(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.274(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.51 C 0.23 W 0.09 K 0.03 R 0.03 E 0.02 H 0.02 V 0.02 Q 0.02 C Shift Assignments>> C :: 178.584(D) CA :: 61.934(D) CB :: 28.182(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.S10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.404(D) CA :: 58.894(D) CB :: 64.926(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.875(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.903(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> P 0.34 G 0.33 A 0.13 C 0.09 N 0.04 L 0.01 D 0.01 C Shift Assignments>> C :: 176.190(D) CA :: 48.209(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.759(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 121.325(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 K 0.14 R 0.12 M 0.12 W 0.11 H 0.1 E 0.09 V 0.05 Q 0.04 C Shift Assignments>> C :: 178.335(D) CA :: 58.217(D) CB :: 31.941(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.095(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.227(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.31 V 0.28 C 0.17 I 0.16 W 0.03 C Shift Assignments>> C :: 178.265(D) CA :: 64.115(D) CB :: 30.301(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.295(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.440(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.16 I 0.11 E 0.11 K 0.1 H 0.08 Q 0.08 R 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 179.022(D) CA :: 59.667(D) CB :: 29.301(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.274(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.079(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.969(D) CA :: 45.345(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.250(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.476(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 Q 0.15 C 0.13 W 0.12 H 0.11 E 0.11 R 0.1 L 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 173.652(D) CA :: 57.145(D) CB :: 28.447(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.905(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.970(D) Ave N Shift Values>> N :: 120.17(4.64) 1.M17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 R 0.17 C 0.14 Q 0.12 H 0.1 W 0.07 K 0.06 E 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 177.107(D) CA :: 53.028(D) CB :: 27.648(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.051(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.033(D) Ave N Shift Values>> N :: 120.09(3.57) 1.V18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 Q 0.18 K 0.18 M 0.15 V 0.06 R 0.05 H 0.04 W 0.04 E 0.02 C Shift Assignments>> C :: 174.026(D) CA :: 58.077(D) CB :: 33.674(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.800(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.668(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.15 C 0.13 Q 0.13 W 0.12 M 0.1 E 0.08 K 0.06 C Shift Assignments>> C :: 174.495(D) CA :: 53.771(D) CB :: 30.239(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.689(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.781(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.28 C 0.27 K 0.08 W 0.08 P 0.06 R 0.05 M 0.04 H 0.03 E 0.03 Q 0.02 C Shift Assignments>> C :: 173.722(D) CA :: 60.646(D) CB :: 32.493(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.760(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.427(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.844(D) CA :: 60.094(D) CB :: 70.308(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.119(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.522(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.23 L 0.19 C 0.16 Q 0.09 K 0.07 W 0.06 I 0.05 H 0.05 E 0.04 C Shift Assignments>> C :: 174.934 CA :: 57.273(D) CB :: 26.660(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.835(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.483(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.654 CA :: 46.088 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.177(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 120.267(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.97 S 0.02 HN Overlap>> 1.C265 1.C265 C Shift Assignments>> C :: 174.500(D) CA :: 60.685(D) CB :: 68.027(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.676(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.928(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.200(D) CA :: 61.932(D) CB :: 68.673(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.066(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.642(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.A255 1.A255 C Shift Assignments>> C :: 173.521(D) CA :: 60.536(D) CB :: 70.012(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.528(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.895(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 D 0.23 F 0.08 C 0.08 Y 0.07 L 0.07 C Shift Assignments>> C :: 174.096(D) CA :: 53.352(D) CB :: 39.304(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.189(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.212(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.29 L 0.15 C 0.05 F 0.04 Y 0.03 K 0.03 C Shift Assignments>> C :: 172.898(D) CA :: 51.860(D) CB :: 40.856(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.780(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.653(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.18 K 0.15 D 0.11 F 0.08 Y 0.05 C 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 170.156(D) CA :: 42.547(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.464(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.710(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.46 L 0.24 R 0.11 D 0.09 C 0.04 F 0.01 HN Overlap>> 1.L141 1.L141 1.E166 1.E166 C Shift Assignments>> C :: 174.222(D) CA :: 52.135(D) CB :: 44.026(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.737(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.839(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 C 0.15 Q 0.15 R 0.12 W 0.11 K 0.11 M 0.06 E 0.06 L 0.01 C Shift Assignments>> C :: 174.445(D) CA :: 52.877(D) CB :: 29.431(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 10.266(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 131.948(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 D 0.22 G 0.16 R 0.15 C 0.05 N 0.03 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 177.011(D) CA :: 51.744(D) CB :: 43.137(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.000(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.236(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.23 C 0.19 F 0.18 N 0.13 E 0.07 D 0.06 I 0.04 L 0.03 M 0.02 HN Overlap>> 1.V36 1.V261 1.V36 1.V261 C Shift Assignments>> C :: 174.812(D) CA :: 56.126(D) CB :: 38.119(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.911(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.836(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.63 C 0.15 D 0.04 Y 0.04 M 0.03 F 0.03 E 0.03 C Shift Assignments>> C :: 173.229(D) CA :: 52.138(D) CB :: 37.334(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.460(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.164(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 V 0.21 K 0.12 Q 0.1 M 0.07 W 0.04 R 0.03 H 0.02 E 0.02 I 0.01 Y 0.01 C Shift Assignments>> C :: 173.808(D) CA :: 60.009(D) CB :: 33.781(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.061(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.176(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.14 R 0.11 K 0.1 E 0.09 V 0.09 H 0.09 M 0.07 Q 0.04 I 0.01 HN Overlap>> 1.D33 1.D33 1.L87 1.V261 1.L87 1.V261 C Shift Assignments>> C :: 174.565(D) CA :: 59.236(D) CB :: 31.541(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.987(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.866(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 Y 0.18 F 0.16 C 0.14 D 0.13 L 0.05 E 0.02 I 0.02 M 0.01 HN Overlap>> 1.L89 1.L89 C Shift Assignments>> C :: 176.347(D) CA :: 55.278(D) CB :: 38.617(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.389(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.289(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.14 H 0.13 C 0.12 R 0.11 W 0.1 L 0.08 E 0.08 M 0.02 C Shift Assignments>> C :: 169.891 CA :: 54.797(D) CB :: 28.366(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.936(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.023(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.852 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) 1.V42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 C 0.22 V 0.2 P 0.18 W 0.08 E 0.01 R 0.01 H 0.01 K 0.01 C Shift Assignments>> C :: 174.223 CA :: 62.941(D) CB :: 29.988(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.133(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.899(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I43 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.T111 1.T111 C Shift Assignments>> C :: 175.038(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.373(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 109.843(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.16 Q 0.15 H 0.12 W 0.12 E 0.12 C 0.12 R 0.09 M 0.02 L 0.02 I 0.02 HN Overlap>> 1.V297 1.V212 1.V297 1.V212 C Shift Assignments>> C :: 176.469(D) CA :: 56.722(D) CB :: 28.806(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.812(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.360(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.334 CA :: 60.377(D) CB :: 70.350(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.287(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.698(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S46 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.068(D) CA :: 61.207(D) CB :: 70.242(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.827(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.257(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.16 C 0.15 Q 0.12 W 0.11 K 0.1 H 0.08 E 0.08 L 0.08 I 0.07 HN Overlap>> 1.Y54 1.Y239 1.Y54 1.Y239 C Shift Assignments>> C :: 178.672(D) CA :: 57.871(D) CB :: 27.756(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.068(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.285(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.17 F 0.17 Y 0.14 N 0.09 C 0.08 K 0.05 I 0.01 C Shift Assignments>> C :: 176.857(D) CA :: 55.510(D) CB :: 40.465(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.598(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.070(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.15 R 0.13 W 0.12 C 0.11 E 0.11 K 0.1 M 0.06 C Shift Assignments>> C :: 177.207(D) CA :: 55.142(D) CB :: 29.801(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.166(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 112.857(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.25 D 0.13 C 0.12 L 0.1 I 0.05 N 0.04 K 0.01 HN Overlap>> 1.H246 1.H246 C Shift Assignments>> C :: 177.834(D) CA :: 56.879(D) CB :: 39.856(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.288(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.805(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.6 C 0.2 M 0.06 E 0.03 Y 0.03 F 0.02 D 0.02 C Shift Assignments>> C :: 170.948 CA :: 51.396(D) CB :: 36.716(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.531(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.164(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.3 C 0.23 V 0.16 P 0.12 W 0.08 E 0.01 R 0.01 H 0.01 K 0.01 C Shift Assignments>> C :: 176.478(D) CA :: 62.907(D) CB :: 29.701(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.N53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 N 0.31 M 0.12 P 0.05 Q 0.02 E 0.02 K 0.02 Y 0.01 HN Overlap>> 1.Q127 1.Q127 C Shift Assignments>> C :: 175.430(D) CA :: 50.133(D) CB :: 35.583(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.361(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.562(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.65 C 0.2 Y 0.05 F 0.04 V 0.03 HN Overlap>> 1.E47 1.E47 1.Y239 1.Y239 C Shift Assignments>> C :: 177.241(D) CA :: 63.765(D) CB :: 37.432(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.080(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.330(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 C 0.21 R 0.15 W 0.09 Q 0.06 L 0.04 E 0.04 H 0.04 K 0.04 P 0.02 C Shift Assignments>> C :: 178.863(D) CA :: 59.722(D) CB :: 27.227(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.642(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.390(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.22 L 0.18 F 0.18 Y 0.15 C 0.08 K 0.08 N 0.06 I 0.01 C Shift Assignments>> C :: 178.187(D) CA :: 55.901(D) CB :: 40.674(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.227(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.332(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.19 D 0.17 L 0.16 C 0.09 K 0.07 N 0.03 I 0.03 C Shift Assignments>> C :: 180.420(D) CA :: 56.644(D) CB :: 40.588(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.235(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.945(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.25 D 0.13 C 0.13 L 0.09 N 0.06 I 0.04 C Shift Assignments>> C :: 179.723(D) CA :: 56.670(D) CB :: 39.653(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.276(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.264(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 C 0.31 V 0.13 Y 0.06 F 0.03 E 0.03 HN Overlap>> 1.F66 1.F66 C Shift Assignments>> C :: 176.953(D) CA :: 62.594(D) CB :: 36.222(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.412(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.518(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.13 C 0.12 W 0.11 E 0.09 R 0.09 L 0.05 M 0.02 I 0.01 HN Overlap>> 1.A129 1.A129 C Shift Assignments>> C :: 176.517(D) CA :: 55.420(D) CB :: 28.547(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.978(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.129(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 C 0.17 H 0.15 R 0.14 W 0.08 K 0.08 Q 0.06 E 0.04 P 0.03 C Shift Assignments>> C :: 174.999(D) CA :: 52.746(D) CB :: 31.471(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.725(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.182(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.981 CA :: 55.579(D) CB :: 64.273(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.344(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.265(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.06 D 0.05 F 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.167 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) 1.H64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 C 0.12 H 0.12 W 0.11 E 0.1 R 0.1 L 0.05 I 0.02 M 0.02 C Shift Assignments>> C :: 176.337(D) CA :: 56.495(D) CB :: 28.453(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.517(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 111.715(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 D 0.13 C 0.12 Y 0.11 F 0.1 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.Q256 1.N214 1.Q256 1.N214 C Shift Assignments>> C :: 173.236(D) CA :: 54.148(D) CB :: 38.372(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.588(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.670(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.24 C 0.13 D 0.13 L 0.08 N 0.08 I 0.04 HN Overlap>> 1.I59 1.I59 C Shift Assignments>> C :: 173.158(D) CA :: 56.485(D) CB :: 39.391(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.356(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.585(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.25 L 0.16 F 0.06 C 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 175.809(D) CA :: 52.713(D) CB :: 40.789(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.903(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.893(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.16 E 0.11 R 0.11 H 0.09 V 0.08 K 0.06 Q 0.05 M 0.04 I 0.02 C Shift Assignments>> C :: 174.408(D) CA :: 59.512(D) CB :: 30.904(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.031(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.498(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.15 M 0.15 C 0.15 W 0.1 Q 0.09 K 0.07 E 0.06 C Shift Assignments>> C :: 173.501(D) CA :: 53.441(D) CB :: 30.960(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.706(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.038(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 G 0.07 M 0.02 C 0.01 C Shift Assignments>> C :: 177.496(D) CA :: 48.896(D) CB :: 18.727(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.894(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.033(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.660 CA :: 46.540(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.993(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.060(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 C 0.17 M 0.05 E 0.05 Y 0.04 D 0.03 F 0.03 HN Overlap>> 1.V261 1.V261 C Shift Assignments>> C :: 174.715(D) CA :: 52.457(D) CB :: 37.097(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.807(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.927(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.28 C 0.25 P 0.12 W 0.09 K 0.05 R 0.04 E 0.03 H 0.03 M 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 174.453(D) CA :: 61.125(D) CB :: 31.881(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.833(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.741(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 R 0.2 Q 0.12 C 0.12 H 0.08 W 0.06 K 0.05 E 0.03 M 0.01 HN Overlap>> 1.R105 1.R105 C Shift Assignments>> C :: 175.694(D) CA :: 54.309(D) CB :: 27.317(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.490(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.590(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.34 L 0.13 C 0.05 F 0.05 Y 0.03 K 0.01 C Shift Assignments>> C :: 175.713(D) CA :: 52.131(D) CB :: 40.502(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.274(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.501(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 C 0.11 E 0.11 R 0.11 M 0.04 L 0.01 C Shift Assignments>> C :: 175.067(D) CA :: 55.510(D) CB :: 29.121(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.304(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.560(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 I 0.22 V 0.13 W 0.13 P 0.07 E 0.04 R 0.03 H 0.03 K 0.02 Q 0.02 C Shift Assignments>> C :: 176.599(D) CA :: 61.872(D) CB :: 29.848(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.111(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.062(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 I 0.23 Y 0.18 E 0.14 F 0.12 M 0.01 V 0.01 C Shift Assignments>> C :: 175.983(D) CA :: 59.777(D) CB :: 37.085(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.189(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.242(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.069 CA :: 44.832(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.666(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.042(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 H 0.16 R 0.15 C 0.13 W 0.1 K 0.09 Q 0.08 E 0.08 C Shift Assignments>> C :: 172.730(D) CA :: 54.681(D) CB :: 31.231(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.200(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.657(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.111(D) CA :: 56.622(D) CB :: 64.110(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.261(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.933(D) Ave N Shift Values>> N :: 116.28(3.52) 1.M82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 C 0.2 Q 0.2 K 0.13 E 0.05 H 0.03 R 0.03 N 0.01 W 0.01 Y 0.01 C Shift Assignments>> C :: 174.262(D) CA :: 54.192(D) CB :: 34.470(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.950(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.390(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Q83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.16 C 0.14 K 0.13 W 0.1 R 0.1 E 0.06 L 0.06 M 0.04 C Shift Assignments>> C :: 173.022(D) CA :: 53.390(D) CB :: 28.716(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.974(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 129.762(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 C 0.23 M 0.14 N 0.12 Y 0.07 K 0.04 F 0.04 Q 0.02 I 0.01 C Shift Assignments>> C :: 174.992(D) CA :: 54.990(D) CB :: 36.253(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.028(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.001(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 C 0.18 L 0.14 I 0.1 Q 0.08 K 0.07 W 0.07 H 0.05 E 0.04 C Shift Assignments>> C :: 174.179(D) CA :: 58.104(D) CB :: 26.659(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.459(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.593(D) Ave N Shift Values>> N :: 120.17(4.64) 1.V86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 K 0.16 Q 0.14 V 0.12 M 0.11 W 0.04 R 0.04 H 0.04 E 0.02 C Shift Assignments>> C :: 173.733 CA :: 59.113(D) CB :: 33.600(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.372(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.154(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.28 R 0.09 K 0.09 N 0.07 C 0.04 F 0.04 Y 0.02 G 0.02 HN Overlap>> 1.V36 1.V36 C Shift Assignments>> C :: 174.261(D) CA :: 52.413(D) CB :: 42.353(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.026(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.772(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.16 C 0.14 Q 0.12 W 0.11 M 0.11 E 0.08 K 0.05 C Shift Assignments>> C :: 175.981(D) CA :: 53.767(D) CB :: 30.476(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.443(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.077(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.19 C 0.07 L 0.04 F 0.04 Y 0.03 HN Overlap>> 1.Y37 1.Y37 C Shift Assignments>> C :: 175.125(D) CA :: 51.584(D) CB :: 39.229(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.495(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.265(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 M 0.15 C 0.13 W 0.1 Q 0.09 K 0.08 E 0.08 C Shift Assignments>> C :: 176.473(D) CA :: 54.133(D) CB :: 31.026(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.345(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.515(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 Q 0.19 K 0.18 M 0.16 R 0.05 H 0.05 V 0.04 W 0.04 E 0.02 C Shift Assignments>> C :: 176.118(D) CA :: 57.715(D) CB :: 33.610(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.744(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.078(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 D 0.28 L 0.1 F 0.1 Y 0.09 C 0.07 HN Overlap>> 1.R222 1.R222 C Shift Assignments>> C :: 175.391(D) CA :: 53.869(D) CB :: 39.710(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.102(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.456(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.935(D) CA :: 60.294(D) CB :: 71.405(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.897(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.138(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 G 0.08 M 0.06 C Shift Assignments>> C :: 177.785(D) CA :: 48.967(D) CB :: 17.357(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.580(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.798(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.82 C 0.08 M 0.03 Q 0.01 K 0.01 HN Overlap>> 1.F305 1.F305 C Shift Assignments>> C :: 176.656 CA :: 49.783(D) CB :: 33.391(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.982(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.016(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.23 V 0.22 I 0.21 C 0.21 W 0.06 R 0.01 E 0.01 C Shift Assignments>> C :: 177.007(D) CA :: 63.295(D) CB :: 30.078(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 H 0.18 C 0.15 R 0.13 W 0.12 E 0.09 M 0.05 L 0.03 K 0.01 C Shift Assignments>> C :: 175.584(D) CA :: 53.777(D) CB :: 29.080(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.482(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.005(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.379 CA :: 62.555(D) CB :: 69.864(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.933(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.767(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.25 W 0.15 V 0.15 I 0.09 E 0.07 R 0.06 P 0.06 H 0.05 Q 0.03 K 0.02 M 0.01 C Shift Assignments>> C :: 176.186(D) CA :: 61.043(D) CB :: 30.470(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.15 W 0.15 H 0.14 R 0.13 C 0.13 Q 0.13 M 0.05 K 0.04 I 0.01 C Shift Assignments>> C :: 176.744(D) CA :: 57.336(D) CB :: 29.892(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.377(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.199(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 D 0.22 K 0.18 F 0.12 Y 0.09 C 0.06 N 0.03 R 0.03 HN Overlap>> 1.A210 1.A210 C Shift Assignments>> C :: 173.946(D) CA :: 55.523(D) CB :: 41.467(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.094(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.856(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.23 Q 0.16 K 0.11 E 0.09 N 0.04 H 0.02 R 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 174.467(D) CA :: 54.020(D) CB :: 34.909(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.809(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.194(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.33 C 0.26 M 0.15 E 0.09 K 0.03 Q 0.03 Y 0.03 F 0.01 C Shift Assignments>> C :: 175.698(D) CA :: 52.341(D) CB :: 35.931(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.833(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.734(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 Q 0.14 K 0.14 M 0.11 V 0.1 E 0.06 W 0.03 R 0.03 H 0.02 I 0.01 Y 0.01 C Shift Assignments>> C :: 173.467(D) CA :: 59.064(D) CB :: 34.215(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.268(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.448(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.16 K 0.13 C 0.13 R 0.11 W 0.11 E 0.07 M 0.04 L 0.03 HN Overlap>> 1.Q74 1.Q74 C Shift Assignments>> C :: 177.440(D) CA :: 53.696(D) CB :: 29.050(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.473(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.485(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 I 0.25 F 0.23 C 0.18 E 0.02 HN Overlap>> 1.A193 1.A193 C Shift Assignments>> C :: 173.964(D) CA :: 59.566(D) CB :: 38.618(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.350(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.329(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.29 L 0.15 C 0.13 R 0.1 H 0.08 Q 0.08 W 0.05 K 0.05 E 0.01 M 0.01 C Shift Assignments>> C :: 173.577 CA :: 51.843(D) CB :: 27.888(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.034(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.815(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.33 V 0.28 C 0.18 I 0.07 W 0.06 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.880(D) CA :: 62.785(D) CB :: 30.901(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.29 G 0.22 D 0.04 F 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 173.565(D) CA :: 43.933(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.210(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.399(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 R 0.14 K 0.13 H 0.11 C 0.11 L 0.1 W 0.1 E 0.08 M 0.02 I 0.01 HN Overlap>> 1.V148 1.V148 C Shift Assignments>> C :: 174.918(D) CA :: 55.457(D) CB :: 28.142(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.665(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.988(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.I43 1.I43 C Shift Assignments>> C :: 175.052(D) CA :: 58.002(D) CB :: 71.033(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.428(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.868(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 N 0.19 E 0.16 Y 0.16 F 0.11 M 0.06 D 0.03 I 0.02 L 0.01 K 0.01 HN Overlap>> 1.N274 1.N274 C Shift Assignments>> C :: 173.013(D) CA :: 55.403(D) CB :: 37.377(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.338(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.349(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.780(D) CA :: 56.293(D) CB :: 63.523(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.706(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.978(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.19 K 0.11 W 0.1 R 0.07 M 0.06 H 0.05 E 0.05 Q 0.04 P 0.02 C Shift Assignments>> C :: 174.608(D) CA :: 59.923(D) CB :: 32.391(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.957(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.020(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.2 L 0.19 C 0.05 K 0.05 F 0.04 Y 0.02 R 0.01 C Shift Assignments>> C :: 175.386(D) CA :: 51.474(D) CB :: 41.482(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.263(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.319(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 176.614(D) CA :: 51.839(D) CB :: 17.172(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.719(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.489(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 E 0.14 H 0.14 W 0.14 C 0.13 Q 0.11 M 0.06 K 0.06 V 0.01 I 0.01 C Shift Assignments>> C :: 170.342(D) CA :: 57.098(D) CB :: 30.377(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.532(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.284(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Y118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.23 D 0.12 L 0.12 C 0.11 I 0.05 K 0.04 N 0.02 C Shift Assignments>> C :: 176.683(D) CA :: 57.156(D) CB :: 40.317(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.974(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.003(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> N 0.29 C 0.22 E 0.16 M 0.11 Y 0.07 F 0.04 K 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 175.117(D) CA :: 53.929(D) CB :: 36.568(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 10.455(S) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.474(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.41 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 172.687(D) CA :: 44.317(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.875(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.952(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.R217 1.R217 C Shift Assignments>> C :: 172.606 CA :: 54.630(D) CB :: 63.307(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.905(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.293(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.36 V 0.33 C 0.17 W 0.04 I 0.02 R 0.01 K 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.111(D) CA :: 62.661(D) CB :: 31.525(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.S123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.657 CA :: 57.940(D) CB :: 64.570(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.814(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.255(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 169.983(D) CA :: 45.012(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.676(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.422(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 Q 0.17 M 0.16 K 0.14 E 0.11 V 0.03 H 0.02 R 0.02 Y 0.02 W 0.01 I 0.01 HN Overlap>> 1.V202 1.Q244 1.V202 1.Q244 C Shift Assignments>> C :: 174.254(D) CA :: 57.662(D) CB :: 34.609(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.892(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.883(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.33 C 0.15 Y 0.15 F 0.12 D 0.1 E 0.04 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 171.579(D) CA :: 54.750(D) CB :: 38.153(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.022(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.534(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.15 K 0.14 C 0.14 W 0.1 R 0.09 E 0.07 L 0.06 M 0.03 HN Overlap>> 1.N53 1.N53 C Shift Assignments>> C :: 175.312(D) CA :: 53.605(D) CB :: 28.658(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.375(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.535(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.14 K 0.13 E 0.12 W 0.12 R 0.12 C 0.11 M 0.04 I 0.01 HN Overlap>> 1.N142 1.N142 C Shift Assignments>> C :: 170.656(D) CA :: 56.179(D) CB :: 29.424(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.700(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.284(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 G 0.08 M 0.01 C 0.01 HN Overlap>> 1.R60 1.R60 C Shift Assignments>> C :: 176.657(D) CA :: 48.848(D) CB :: 19.265(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.987(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.154(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 C 0.14 K 0.13 W 0.1 R 0.09 L 0.08 E 0.06 M 0.03 HN Overlap>> 1.N180 1.D248 1.N180 1.D248 C Shift Assignments>> C :: 175.031(D) CA :: 53.420(D) CB :: 28.541(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.282(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.115(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 K 0.2 C 0.16 P 0.02 Q 0.01 H 0.01 C Shift Assignments>> C :: 177.047 CA :: 52.376(D) CB :: 24.971(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.965(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.906(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.37 C 0.11 I 0.03 W 0.01 C Shift Assignments>> C :: 175.817(D) CA :: 64.390(D) CB :: 31.341(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.N133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.35 C 0.33 M 0.14 E 0.03 Q 0.03 K 0.02 P 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 175.385(D) CA :: 50.894(D) CB :: 35.685(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.980(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 111.122(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.35 C 0.32 K 0.06 Q 0.05 P 0.04 M 0.03 W 0.03 I 0.02 R 0.02 H 0.01 E 0.01 C Shift Assignments>> C :: 172.560(D) CA :: 61.078(D) CB :: 33.748(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.394(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 110.940(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.830(D) CA :: 59.165(D) CB :: 71.821(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.041(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.459(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.29 I 0.15 C 0.15 L 0.03 D 0.03 C Shift Assignments>> C :: 175.440(D) CA :: 58.717(D) CB :: 39.564(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.683(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 110.518(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 H 0.17 C 0.16 W 0.12 R 0.11 L 0.09 E 0.07 M 0.04 HN Overlap>> 1.F159 1.F159 C Shift Assignments>> C :: 176.843(D) CA :: 53.615(D) CB :: 28.536(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.207(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.678(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.27 K 0.1 D 0.09 F 0.07 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 172.523(D) CA :: 42.804(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.334(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.111(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.12 M 0.1 D 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 C Shift Assignments>> C :: 173.656(D) CA :: 55.377(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.225(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.080(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.24 K 0.13 D 0.12 F 0.07 Y 0.05 C 0.05 G 0.01 HN Overlap>> 1.Q306 1.Q306 C Shift Assignments>> C :: 174.252(D) CA :: 55.736(D) CB :: 42.793(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.794(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.293(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.24 D 0.1 P 0.06 L 0.05 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 F 0.01 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 178.237 CA :: 51.939(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.709(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.757(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 E 0.19 N 0.18 Y 0.14 F 0.09 M 0.07 D 0.02 I 0.02 K 0.01 HN Overlap>> 1.C128 1.C128 C Shift Assignments>> C :: 175.656 CA :: 55.336 CB :: 37.137(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.754(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.379(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.476(D) CA :: 45.221 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.898(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.831(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.08 K 0.08 R 0.08 H 0.07 Q 0.07 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> C :: 177.656(D) CA :: 57.563(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.131(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.251(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 M 0.41 C 0.01 HN Overlap>> 1.D197 1.D197 C Shift Assignments>> C :: 177.006(D) CA :: 53.605(D) CB :: 17.490(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.739(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.589(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 G 0.28 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.988(D) CA :: 44.068(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.266(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.792(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.483 CA :: 61.409(D) CB :: 62.594(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.880(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.339(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.23 M 0.09 K 0.08 Q 0.06 Y 0.06 I 0.05 V 0.04 F 0.03 HN Overlap>> 1.Q110 1.Q110 C Shift Assignments>> C :: 174.864(D) CA :: 58.621(D) CB :: 35.451(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.678 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.074 Ave N Shift Values>> N :: 121.14(4.54) 1.G149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> C :: 174.634(D) CA :: 43.284(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.591(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.473(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.21 F 0.13 K 0.12 Y 0.1 C 0.06 N 0.06 R 0.01 C Shift Assignments>> C :: 171.915(D) CA :: 55.343(D) CB :: 41.024(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.758(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.870(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.25 N 0.11 K 0.07 R 0.06 C 0.05 F 0.03 G 0.02 Y 0.02 C Shift Assignments>> C :: 173.359(D) CA :: 51.478(D) CB :: 42.140(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.408(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.640(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I152 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> C 0.29 E 0.23 I 0.14 Y 0.13 F 0.07 M 0.04 V 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 173.777(D) CA :: 59.412(D) CB :: 36.348(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 3.344(A) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.003(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.2 L 0.19 K 0.05 F 0.05 C 0.05 Y 0.03 C Shift Assignments>> C :: 175.894(D) CA :: 52.525(D) CB :: 41.132(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.304(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.942(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 V 0.21 K 0.07 E 0.06 Q 0.06 I 0.06 M 0.05 Y 0.02 W 0.01 R 0.01 H 0.01 F 0.01 C Shift Assignments>> C :: 173.394(D) CA :: 60.517(D) CB :: 34.615(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.835(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.459(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.28 L 0.08 C 0.06 F 0.05 Y 0.05 HN Overlap>> 1.W207 1.W207 C Shift Assignments>> C :: 174.735(D) CA :: 52.495(D) CB :: 39.781(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.358(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.540(D) Ave N Shift Values>> N :: 120.65(3.86) 1.C156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 Q 0.14 C 0.12 L 0.12 K 0.1 H 0.09 W 0.09 E 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 173.974(D) CA :: 56.365(D) CB :: 27.783(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.941(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.547(D) Ave N Shift Values>> N :: 120.17(4.64) 1.V157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.15 W 0.15 I 0.12 P 0.07 E 0.06 R 0.05 H 0.04 Q 0.02 K 0.02 M 0.01 C Shift Assignments>> C :: 174.313(D) CA :: 61.300(D) CB :: 30.316(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.964(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.554(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.354(D) CA :: 55.091(D) CB :: 61.779(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.764(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 124.151(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.27 C 0.17 I 0.14 D 0.03 L 0.02 E 0.01 N 0.01 HN Overlap>> 1.K137 1.K137 C Shift Assignments>> C :: 175.822(D) CA :: 58.334(D) CB :: 38.982(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.177(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.653(D) Ave N Shift Values>> N :: 120.45(4.18) 1.C160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 C 0.15 K 0.14 R 0.13 H 0.13 W 0.07 Q 0.06 E 0.05 C Shift Assignments>> C :: 172.916(D) CA :: 54.438(D) CB :: 32.149(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.691(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.523(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Y161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.22 R 0.12 F 0.12 D 0.11 Y 0.08 C 0.06 I 0.01 C Shift Assignments>> C :: 172.067(D) CA :: 56.674(D) CB :: 42.149(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.488(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.369(D) Ave N Shift Values>> N :: 120.52(4.2) 1.M162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.22 Q 0.2 K 0.13 H 0.04 R 0.03 E 0.02 N 0.02 W 0.01 C Shift Assignments>> C :: 173.814(D) CA :: 53.193(D) CB :: 34.159(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.780(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 127.855(D) Ave N Shift Values>> N :: 120.09(3.57) 1.H163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 H 0.12 M 0.12 W 0.12 K 0.12 E 0.11 Q 0.06 V 0.02 C Shift Assignments>> C :: 176.617 CA :: 57.461(D) CB :: 31.492(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.210(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 127.195(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.12 L 0.1 A 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 C 0.04 W 0.03 E 0.03 F 0.02 Y 0.02 HN Overlap>> 1.Q192 1.Q192 C Shift Assignments>> CA :: 54.374 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.629 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.673 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.26 Q 0.21 C 0.2 K 0.14 E 0.04 H 0.04 R 0.03 W 0.01 N 0.01 C Shift Assignments>> C :: 172.960(D) CA :: 53.961(D) CB :: 34.291(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) 1.E166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.16 Q 0.13 C 0.13 W 0.12 M 0.1 E 0.09 K 0.05 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 175.852(D) CA :: 54.305(D) CB :: 30.373(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.801(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.894(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.13 C 0.09 Y 0.05 F 0.05 L 0.03 M 0.01 C Shift Assignments>> C :: 176.602 CA :: 52.702(D) CB :: 38.458(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.960(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.608(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P168 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.23 T 0.18 V 0.17 C 0.09 S 0.05 F 0.05 Y 0.05 P 0.04 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 175.496(D) CA :: 61.286(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) 1.G170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.163(D) CA :: 44.818(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.449(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.175(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.16 E 0.13 R 0.13 H 0.11 Q 0.08 K 0.07 M 0.05 V 0.04 I 0.01 C Shift Assignments>> C :: 174.031(D) CA :: 58.620(D) CB :: 30.767(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.198(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 109.810(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 K 0.16 Q 0.13 M 0.12 V 0.1 R 0.05 W 0.05 H 0.04 E 0.02 HN Overlap>> 1.D187 1.D187 C Shift Assignments>> C :: 172.727(D) CA :: 58.854(D) CB :: 33.392(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.763(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.921(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.59 L 0.15 C 0.13 G 0.1 C Shift Assignments>> C :: 177.523(D) CA :: 49.170(D) CB :: 22.394(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.880(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.476(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 170.974(D) CA :: 44.991(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.609(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.062(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.869(D) CA :: 57.831(D) CB :: 72.277(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.834(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.567(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.54 D 0.19 C 0.07 F 0.05 Y 0.05 L 0.05 C Shift Assignments>> C :: 178.346(D) CA :: 52.539(D) CB :: 39.072(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.262(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.182(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L177 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.24 Q 0.15 K 0.1 P 0.09 H 0.05 R 0.04 W 0.02 N 0.01 C Shift Assignments>> C :: 176.375(D) CA :: 52.024(D) CB :: 33.711(S) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.185(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.943(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.16 Q 0.15 L 0.14 C 0.12 H 0.11 K 0.11 W 0.08 E 0.06 M 0.01 I 0.01 C Shift Assignments>> C :: 176.371(D) CA :: 54.871(D) CB :: 27.934(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.300(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.075(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.808(D) CA :: 45.139(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.453(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.348(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.69 C 0.13 D 0.05 Y 0.03 F 0.02 M 0.02 E 0.01 HN Overlap>> 1.M130 1.M130 1.D248 1.D248 C Shift Assignments>> C :: 176.485(D) CA :: 51.404(D) CB :: 37.520(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.325(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.086(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 I 0.25 Y 0.16 E 0.14 F 0.1 V 0.02 M 0.01 K 0.01 C Shift Assignments>> C :: 178.758(D) CA :: 60.122(D) CB :: 36.876(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.688(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.103(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 E 0.2 Y 0.17 I 0.15 F 0.11 M 0.03 K 0.01 V 0.01 C Shift Assignments>> C :: 175.376(D) CA :: 59.042(D) CB :: 36.872(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.792(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.112(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.3 G 0.13 D 0.05 F 0.05 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.382 CA :: 43.666(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.008(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.175(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P184 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.56 C 0.22 W 0.07 R 0.04 K 0.02 E 0.02 Q 0.01 H 0.01 V 0.01 C Shift Assignments>> C :: 175.295(D) CA :: 61.955(D) CB :: 27.738(S) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.F185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.2 F 0.19 Y 0.19 N 0.15 C 0.11 L 0.1 I 0.02 C Shift Assignments>> C :: 172.767(D) CA :: 55.632(D) CB :: 39.527(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.600(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.028(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 Q 0.19 K 0.18 M 0.16 V 0.05 R 0.04 H 0.04 W 0.03 E 0.03 C Shift Assignments>> C :: 175.013(D) CA :: 57.828(D) CB :: 33.821(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.435(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.228(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D187 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 M 0.19 N 0.15 P 0.09 Q 0.07 K 0.04 E 0.02 H 0.01 R 0.01 Y 0.01 HN Overlap>> 1.H172 1.H172 C Shift Assignments>> C :: 174.567(D) CA :: 50.956(D) CB :: 35.024(S) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.798(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.816(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 H 0.15 R 0.15 C 0.15 K 0.1 W 0.09 Q 0.07 E 0.06 HN Overlap>> 1.S254 1.S254 1.D245 1.T190 1.D245 1.T190 C Shift Assignments>> C :: 174.642(D) CA :: 53.722(D) CB :: 31.435(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.714(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.565(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.2 C 0.13 K 0.11 Q 0.07 H 0.04 W 0.03 E 0.01 C Shift Assignments>> C :: 174.064(D) CA :: 54.374(D) CB :: 26.258(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.434(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.826(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.R188 1.R188 C Shift Assignments>> C :: 173.381 CA :: 58.858(D) CB :: 68.939(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.631(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.594(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 M 0.43 C 0.01 C Shift Assignments>> C :: 176.882(D) CA :: 52.361(D) CB :: 16.052(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.205(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.926(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.15 Q 0.14 C 0.12 W 0.12 E 0.1 M 0.08 K 0.08 HN Overlap>> 1.H164 1.H164 C Shift Assignments>> C :: 173.853(D) CA :: 54.332(D) CB :: 30.077(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.730(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.672(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 M 0.03 C 0.01 HN Overlap>> 1.I106 1.I106 C Shift Assignments>> C :: 176.472(D) CA :: 50.570(D) CB :: 19.310(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.428(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.252(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 M 0.02 C 0.01 HN Overlap>> 1.I213 1.I213 C Shift Assignments>> C :: 178.427(D) CA :: 50.372(D) CB :: 19.825(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.571(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.486(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.38 L 0.29 D 0.07 K 0.06 F 0.06 G 0.03 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 173.857(D) CA :: 43.052(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.284(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.358(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.257(D) CA :: 63.306(D) CB :: 68.032(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.376(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.153(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.23 L 0.17 F 0.05 C 0.05 K 0.04 Y 0.04 HN Overlap>> 1.A145 1.A145 C Shift Assignments>> C :: 175.581(D) CA :: 52.469(D) CB :: 40.958(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.803(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.520(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.064(D) CA :: 59.380(D) CB :: 70.314(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.479(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.536(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 174.389(D) CA :: 62.015(D) CB :: 67.741(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.964(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.638(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 V 0.16 E 0.09 K 0.07 I 0.06 Q 0.06 M 0.06 Y 0.03 W 0.01 F 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 176.050(D) CA :: 60.219(D) CB :: 34.832(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.780(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.716(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.92 S 0.07 C Shift Assignments>> C :: 175.984(D) CA :: 66.696(D) CB :: 65.529(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.805(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 129.341(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 P 0.19 C 0.17 V 0.1 W 0.03 HN Overlap>> 1.V125 1.V125 C Shift Assignments>> C :: 174.457(D) CA :: 64.232(D) CB :: 29.045(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.827(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.966(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 N 0.21 M 0.17 E 0.16 K 0.05 Y 0.04 Q 0.04 F 0.02 C Shift Assignments>> C :: 179.530(D) CA :: 53.669(D) CB :: 35.990(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.702(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.137(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 V 0.22 C 0.18 P 0.09 W 0.02 C Shift Assignments>> C :: 178.804 CA :: 65.511(D) CB :: 29.400(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.881(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.370(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.1 I 0.05 K 0.05 N 0.01 C Shift Assignments>> C :: 178.073(D) CA :: 57.482(D) CB :: 40.400(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.172(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.013(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.72 A 0.21 I 0.03 C 0.01 HN Overlap>> 1.I249 1.I249 C Shift Assignments>> C :: 178.189(D) CA :: 55.117(D) CB :: 16.628(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.056(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.685(D) Ave N Shift Values>> N :: 123.23(3.54) 1.W207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 C 0.21 R 0.11 W 0.1 Q 0.05 K 0.05 E 0.05 H 0.04 P 0.03 L 0.02 HN Overlap>> 1.D155 1.D155 C Shift Assignments>> C :: 176.747 CA :: 60.110(D) CB :: 27.634(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.415(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.530(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 R 0.1 Q 0.09 H 0.09 E 0.08 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.03 D 0.02 C Shift Assignments>> C :: 180.709(D) CA :: 56.872 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.518(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.104(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.6 C 0.23 V 0.06 Y 0.05 F 0.03 C Shift Assignments>> C :: 178.406(D) CA :: 63.646(D) CB :: 36.982(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.151(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.828(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.7 A 0.25 I 0.02 C 0.01 HN Overlap>> 1.Y101 1.Y101 C Shift Assignments>> C :: 180.021(D) CA :: 53.792(D) CB :: 15.119(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.085(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.765(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.7 A 0.26 I 0.01 C 0.01 C Shift Assignments>> C :: 179.313(D) CA :: 54.376(D) CB :: 16.028(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.096(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.728(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 V 0.29 C 0.17 P 0.14 W 0.01 HN Overlap>> 1.C44 1.V297 1.C44 1.V297 C Shift Assignments>> C :: 181.239(D) CA :: 65.563(D) CB :: 29.741(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.862(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.408(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 C 0.25 V 0.19 Y 0.02 F 0.01 HN Overlap>> 1.A194 1.A194 C Shift Assignments>> C :: 177.369(D) CA :: 64.644(D) CB :: 36.286(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.533(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.561(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 D 0.25 F 0.11 Y 0.1 L 0.09 C 0.08 HN Overlap>> 1.N65 1.N65 C Shift Assignments>> C :: 174.522(D) CA :: 54.133(D) CB :: 39.494(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.494(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.702(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.428(D) CA :: 45.137(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.788(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.631(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.35 D 0.32 L 0.11 F 0.06 C 0.06 Y 0.05 C Shift Assignments>> C :: 173.683(D) CA :: 52.885(D) CB :: 40.125(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.464(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.987(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.16 C 0.14 Q 0.12 W 0.11 M 0.11 E 0.08 K 0.05 HN Overlap>> 1.S121 1.S121 C Shift Assignments>> C :: 177.896(D) CA :: 53.769(D) CB :: 30.411(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.892(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.294(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 K 0.14 E 0.13 Q 0.13 C 0.13 H 0.12 R 0.1 I 0.03 M 0.02 HN Overlap>> 1.L250 1.K236 1.L250 1.K236 C Shift Assignments>> C :: 175.584(D) CA :: 57.764(D) CB :: 29.245(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.349(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.131(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F219 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.24 M 0.2 E 0.19 N 0.09 Q 0.08 K 0.08 Y 0.04 F 0.02 H 0.01 C Shift Assignments>> C :: 175.275(D) CA :: 54.414(D) CB :: 35.604(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 5.885(S) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.403(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.36 D 0.19 Y 0.12 F 0.11 C 0.1 L 0.06 C Shift Assignments>> C :: 176.165(D) CA :: 54.262(D) CB :: 38.981(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.455(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.562(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.6 D 0.2 C 0.07 L 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 174.662 CA :: 51.341(D) CB :: 39.293(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.298(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.266(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 Q 0.15 C 0.14 H 0.11 W 0.08 K 0.07 R 0.05 E 0.05 M 0.01 I 0.01 HN Overlap>> 1.D92 1.D92 C Shift Assignments>> C :: 176.154(D) CA :: 54.279(D) CB :: 27.458(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.040(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.394(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 Y 0.19 C 0.16 F 0.16 D 0.09 E 0.05 L 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 174.109(D) CA :: 55.374(D) CB :: 38.242(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.823(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.273(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.082(D) CA :: 60.786(D) CB :: 69.516(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.069(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.925(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S254 1.S254 C Shift Assignments>> C :: 172.288(D) CA :: 58.666(D) CB :: 68.889(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.805(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.467(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.540(D) CA :: 58.995(D) CB :: 70.808(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.466(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.547(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.29 C 0.14 I 0.1 D 0.06 L 0.06 N 0.01 C Shift Assignments>> C :: 178.655(D) CA :: 57.927(D) CB :: 39.705(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.223(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.265(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 E 0.19 Y 0.16 N 0.14 F 0.11 M 0.06 I 0.03 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 177.943(D) CA :: 55.781(D) CB :: 37.274(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.579(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.445(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 F 0.24 C 0.14 D 0.11 N 0.07 L 0.07 I 0.05 C Shift Assignments>> C :: 179.052(D) CA :: 56.624(D) CB :: 39.216(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.835(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.076(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.46 C 0.23 Y 0.13 F 0.09 E 0.03 V 0.01 C Shift Assignments>> C :: 176.676(D) CA :: 61.711(D) CB :: 37.418(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.491(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.439(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.24 C 0.23 M 0.14 N 0.13 Y 0.08 F 0.04 K 0.04 Q 0.02 I 0.01 C Shift Assignments>> C :: 177.864(D) CA :: 54.910(D) CB :: 36.309(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.634(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.860(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.1 I 0.06 N 0.03 K 0.02 C Shift Assignments>> C :: 179.723(D) CA :: 57.250(D) CB :: 40.031(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.495(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.134(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 V 0.27 P 0.22 C 0.18 W 0.03 C Shift Assignments>> C :: 177.495 CA :: 64.675(D) CB :: 29.920(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.930(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.225(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.78 A 0.15 I 0.04 C 0.01 C Shift Assignments>> C :: 180.334(D) CA :: 54.822(D) CB :: 15.215(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.337(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.947(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.14 R 0.14 E 0.13 H 0.12 K 0.08 Q 0.08 M 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 179.496(D) CA :: 57.998(D) CB :: 30.977(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.912(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.559(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.15 W 0.15 H 0.14 R 0.14 C 0.13 Q 0.13 M 0.05 K 0.04 I 0.01 HN Overlap>> 1.W218 1.L250 1.W218 1.L250 C Shift Assignments>> C :: 177.167(D) CA :: 57.348(D) CB :: 29.970(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.348(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.165(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 E 0.21 Y 0.2 F 0.14 I 0.07 M 0.04 N 0.02 K 0.01 D 0.01 C Shift Assignments>> C :: 174.922(D) CA :: 57.407(D) CB :: 37.251(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.424(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.568(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 M 0.21 E 0.17 N 0.1 Q 0.08 K 0.08 Y 0.03 F 0.02 H 0.01 C Shift Assignments>> C :: 173.457(D) CA :: 54.189(D) CB :: 35.566(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.889(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.596(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.3 C 0.24 M 0.13 Y 0.08 K 0.06 Q 0.04 F 0.04 I 0.02 N 0.02 HN Overlap>> 1.E47 1.Y54 1.E47 1.Y54 C Shift Assignments>> C :: 176.175(D) CA :: 56.641(D) CB :: 35.967(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.998(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.329(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 C 0.13 K 0.12 R 0.12 W 0.11 E 0.07 M 0.05 L 0.02 C Shift Assignments>> C :: 175.050 CA :: 53.586(D) CB :: 29.247(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.245(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.529(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P241 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.25 I 0.24 V 0.15 W 0.11 P 0.1 E 0.03 R 0.02 H 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.997(D) CA :: 62.285(D) CB :: 29.830(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.2 R 0.19 G 0.12 C 0.04 K 0.03 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 178.212(D) CA :: 52.546(D) CB :: 43.256(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.548(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.434(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T243 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.709(D) CA :: 58.814(D) CB :: 70.706(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 10.163(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.859(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 L 0.2 C 0.16 K 0.15 Q 0.07 I 0.05 W 0.05 H 0.04 E 0.02 HN Overlap>> 1.V125 1.V125 C Shift Assignments>> C :: 177.343(D) CA :: 57.152(D) CB :: 26.219(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.940(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.937(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 F 0.23 C 0.16 D 0.09 N 0.09 I 0.05 L 0.05 E 0.02 M 0.01 HN Overlap>> 1.S254 1.R188 1.S254 1.R188 C Shift Assignments>> C :: 178.967(D) CA :: 56.559(D) CB :: 38.781(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.755(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.569(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H246 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 W 0.13 H 0.12 E 0.12 K 0.1 M 0.09 Q 0.07 V 0.03 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 177.374(D) CA :: 57.812(D) CB :: 31.220(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.305(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.821(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V247 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.49 V 0.22 C 0.17 P 0.08 W 0.01 C Shift Assignments>> C :: 179.492(D) CA :: 66.094(D) CB :: 29.293(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.589(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.562(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D248 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.24 C 0.18 I 0.07 D 0.06 N 0.06 L 0.04 E 0.03 M 0.01 HN Overlap>> 1.M130 1.N180 1.M130 1.N180 C Shift Assignments>> C :: 181.027(D) CA :: 56.949(D) CB :: 38.647(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.317(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.102(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I249 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.45 C 0.28 V 0.16 Y 0.04 F 0.02 E 0.01 HN Overlap>> 1.A206 1.A206 C Shift Assignments>> C :: 177.429 CA :: 63.547(D) CB :: 36.228(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.036(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.702(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L250 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.23 K 0.13 F 0.09 N 0.08 Y 0.07 C 0.05 R 0.02 HN Overlap>> 1.W218 1.W218 1.K236 1.K236 C Shift Assignments>> C :: 176.359(D) CA :: 54.513(D) CB :: 41.329(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.328(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.165(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G251 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 174.222 CA :: 47.640(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.774(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.411(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P252 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.3 I 0.27 P 0.2 C 0.17 W 0.02 C Shift Assignments>> C :: 179.868(D) CA :: 65.152 CB :: 29.935(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L253 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 F 0.22 C 0.17 N 0.1 D 0.09 I 0.05 L 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 179.438(D) CA :: 56.421(D) CB :: 38.628(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.372(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.348(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S254 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.R188 1.D245 1.T225 1.R188 1.D245 1.T225 C Shift Assignments>> C :: 177.552(D) CA :: 59.924(D) CB :: 61.689(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.745(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.551(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A255 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.41 C 0.01 HN Overlap>> 1.T26 1.T26 C Shift Assignments>> C :: 180.228(D) CA :: 53.597(D) CB :: 16.422(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.516(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.835(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q256 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 C 0.15 L 0.13 Q 0.11 W 0.09 I 0.07 H 0.07 K 0.06 E 0.06 HN Overlap>> 1.N65 1.N65 C Shift Assignments>> C :: 177.714(D) CA :: 57.681(D) CB :: 27.289(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.692(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.653(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T257 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.055(D) CA :: 61.569(D) CB :: 71.421(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.366(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 103.682(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G258 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.642(D) CA :: 45.072(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.045(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.967(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I259 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.26 C 0.25 Y 0.17 F 0.1 I 0.09 M 0.05 K 0.02 C Shift Assignments>> C :: 176.931(D) CA :: 58.135(D) CB :: 36.816(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.492(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.471(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A260 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> A 0.7 M 0.28 C Shift Assignments>> C :: 178.153(D) CA :: 51.721(D) CB :: 16.733(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.432(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 136.342(S) Ave N Shift Values>> N :: 123.23(3.54) 1.V261 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 I 0.31 C 0.17 P 0.16 W 0.01 HN Overlap>> 1.D33 1.V36 1.N72 1.D33 1.V36 1.N72 C Shift Assignments>> C :: 179.517(D) CA :: 65.598(D) CB :: 29.836(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.896(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.893(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L262 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.23 C 0.22 F 0.17 E 0.15 I 0.07 N 0.04 M 0.03 D 0.02 L 0.01 C Shift Assignments>> C :: 179.355(D) CA :: 57.143(D) CB :: 37.628(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.885(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.192(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D263 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.22 C 0.2 F 0.17 N 0.12 E 0.11 D 0.04 I 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 179.234(D) CA :: 56.192(D) CB :: 37.846(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.951(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.379(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M264 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.14 H 0.14 E 0.13 W 0.13 K 0.12 R 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 179.929(D) CA :: 56.572(D) CB :: 29.581(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.041(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.468(D) Ave N Shift Values>> N :: 120.09(3.57) 1.C265 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 C 0.27 V 0.16 P 0.15 T 0.03 K 0.02 HN Overlap>> 1.T24 1.T24 C Shift Assignments>> C :: 176.342(D) CA :: 63.330(D) CB :: 24.709(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.692(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.900(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A266 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.27 I 0.02 C 0.01 C Shift Assignments>> C :: 180.630(D) CA :: 54.558(D) CB :: 16.413(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.708(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.912(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S267 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.977(D) CA :: 62.145(D) CB :: 60.925(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.765(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.272(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L268 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.23 C 0.18 N 0.07 I 0.06 D 0.06 E 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 176.909(D) CA :: 56.792(D) CB :: 38.494(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.297(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.132(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K269 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.16 E 0.12 R 0.11 H 0.1 V 0.06 K 0.06 Q 0.06 M 0.04 I 0.02 C Shift Assignments>> C :: 177.288(D) CA :: 59.369(D) CB :: 30.814(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.780(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.469(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E270 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 C 0.16 Q 0.11 W 0.1 I 0.09 K 0.08 L 0.08 E 0.07 H 0.07 C Shift Assignments>> C :: 178.889(D) CA :: 58.188(D) CB :: 27.620(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.126(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.872(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L271 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.23 D 0.14 L 0.12 C 0.11 I 0.04 N 0.04 K 0.02 C Shift Assignments>> C :: 180.555(D) CA :: 56.825(D) CB :: 40.112(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.623(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.675(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L272 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.21 C 0.16 N 0.12 D 0.09 L 0.04 I 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 177.856(D) CA :: 56.204(D) CB :: 38.613(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.203(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.779(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q273 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 Q 0.15 C 0.13 W 0.13 E 0.11 H 0.11 R 0.09 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 177.745(D) CA :: 57.282(D) CB :: 28.542(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.405(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.562(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N274 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.26 L 0.08 C 0.07 F 0.06 Y 0.06 HN Overlap>> 1.F112 1.F112 C Shift Assignments>> C :: 176.781(D) CA :: 52.878(D) CB :: 39.561(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.326(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.332(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G275 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.3 G 0.18 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.924(D) CA :: 43.826(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.636(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.313(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M276 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 K 0.16 C 0.15 R 0.13 H 0.12 W 0.09 E 0.07 Q 0.05 V 0.01 HN Overlap>> 1.S284 1.S284 C Shift Assignments>> C :: 177.855(D) CA :: 55.947(D) CB :: 32.083(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.532(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.193(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N277 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 C 0.18 E 0.09 M 0.07 Y 0.06 F 0.04 D 0.03 K 0.01 C Shift Assignments>> C :: 175.169(D) CA :: 53.264(D) CB :: 36.995(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.988(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.320(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G278 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.64 L 0.19 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.426(D) CA :: 44.755(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.498(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.173(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R279 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.15 R 0.13 C 0.12 W 0.12 K 0.1 E 0.09 M 0.06 C Shift Assignments>> C :: 174.794(D) CA :: 54.320(D) CB :: 29.707(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.238(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.544(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T280 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.294(D) CA :: 58.892(D) CB :: 71.728(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.705(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.515(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I281 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 Y 0.22 F 0.2 C 0.16 C Shift Assignments>> C :: 174.800 CA :: 60.943(D) CB :: 39.022(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.916(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.880(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L282 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 D 0.17 Y 0.12 F 0.11 C 0.11 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 178.256(D) CA :: 54.321 CB :: 38.755(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.688(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.809(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G283 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.598 CA :: 44.835(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.939(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.859(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S284 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.01 HN Overlap>> 1.M276 1.M276 C Shift Assignments>> C :: 174.000(D) CA :: 55.936 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.556(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.198(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A285 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.06 C Shift Assignments>> C :: 174.676(D) CA :: 50.521(D) CB :: 18.456(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.158(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.691(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L286 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 D 0.29 R 0.12 K 0.07 N 0.05 C 0.04 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 175.692 CA :: 52.349(D) CB :: 42.549(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.820(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.940(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L287 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.35 C 0.19 E 0.11 Y 0.1 F 0.07 M 0.06 D 0.04 L 0.01 K 0.01 I 0.01 C Shift Assignments>> C :: 175.470(D) CA :: 54.295 CB :: 37.263(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.140(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.125(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E288 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.17 H 0.15 K 0.14 C 0.12 W 0.11 R 0.1 E 0.09 M 0.04 L 0.03 C Shift Assignments>> C :: 175.576(D) CA :: 54.567(D) CB :: 28.981(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 4.215(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.150 Ave N Shift Values>> N :: 120.67(3.48) 1.D289 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.28 R 0.12 G 0.08 N 0.06 K 0.05 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 176.036(D) CA :: 51.544(D) CB :: 42.687(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.643(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.852(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E290 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.21 C 0.13 K 0.11 Q 0.08 H 0.05 W 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 173.079(D) CA :: 55.160(D) CB :: 26.335(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.581(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.472(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F291 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.23 C 0.14 D 0.13 N 0.1 L 0.07 I 0.04 C Shift Assignments>> C :: 174.547(D) CA :: 56.325(D) CB :: 39.194(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.734(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.715(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T292 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.94 S 0.05 C Shift Assignments>> C :: 175.274 CA :: 59.091(D) CB :: 68.059(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.701(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.381(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P293 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.32 I 0.28 P 0.19 C 0.17 W 0.02 C Shift Assignments>> C :: 177.919(D) CA :: 65.431(D) CB :: 29.933(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.F294 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 E 0.18 Y 0.18 I 0.17 F 0.11 M 0.02 K 0.01 V 0.01 C Shift Assignments>> C :: 177.701 CA :: 59.237(D) CB :: 36.949(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.645(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.855(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D295 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.26 C 0.14 D 0.1 L 0.07 I 0.06 N 0.05 C Shift Assignments>> C :: 179.581(D) CA :: 56.885(D) CB :: 39.294(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.340(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.155(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V296 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.38 I 0.32 C 0.16 P 0.1 W 0.01 C Shift Assignments>> C :: 177.730(D) CA :: 66.422(D) CB :: 29.852(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.965(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.165(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V297 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.35 I 0.25 P 0.2 C 0.16 W 0.01 HN Overlap>> 1.C44 1.C44 1.V212 1.V212 C Shift Assignments>> C :: 179.163(D) CA :: 65.570(D) CB :: 30.044(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.845(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.368(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R298 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.14 K 0.13 Q 0.12 E 0.11 I 0.1 H 0.09 R 0.06 L 0.02 M 0.01 C Shift Assignments>> C :: 178.024(D) CA :: 58.654(D) CB :: 28.351(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.397(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.920(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q299 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 Q 0.13 C 0.13 L 0.11 K 0.1 W 0.09 H 0.09 E 0.07 I 0.04 M 0.01 C Shift Assignments>> C :: 178.003(D) CA :: 57.025(D) CB :: 27.698(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.535(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.175(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C300 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.24 W 0.1 K 0.08 R 0.06 P 0.05 E 0.05 H 0.05 M 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 174.774(D) CA :: 60.509(D) CB :: 32.038(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.525(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.907(D) Ave N Shift Values>> N :: 120.17(4.64) 1.S301 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.637(D) CA :: 58.010(D) CB :: 63.144(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.941(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.536(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G302 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.536(D) CA :: 45.217(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.558(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.355(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V303 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 P 0.22 C 0.22 W 0.09 I 0.07 R 0.03 E 0.02 H 0.02 K 0.01 Q 0.01 C Shift Assignments>> C :: 176.077(D) CA :: 62.114(D) CB :: 30.840(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.446(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.197(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T304 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.510(D) CA :: 59.674(D) CB :: 69.946(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.954(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.606(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F305 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 F 0.23 C 0.16 D 0.1 N 0.08 L 0.05 I 0.05 E 0.02 M 0.01 HN Overlap>> 1.N95 1.N95 C Shift Assignments>> C :: 174.654(D) CA :: 56.566(D) CB :: 38.881(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.059(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.998(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q306 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 I 0.01 L 0.01 HN Overlap>> 1.F140 1.F140 C Shift Assignments>> C :: 180.526 CA :: 56.319(D) CB :: 29.142(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.782(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.288(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 6 #Clerical: 289 #Suspicious: 8 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 298 #Suspicious: 1 #Mistyped: 2 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 306 #Suspicious: 0 C Shift Results: #Consistent: 49 #Duplicate: 816 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 2 #Duplicate: 278 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 3 #Duplicate: 282 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.S1 C = 171.594(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.8526e-02 1.S1 CA = 57.232(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.7224e-01 1.S1 CB = 62.340(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.2389e-01 1.G2 C = 172.761(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.5526e-01 1.G2 CA = 43.121(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6226e-02 1.G2 H = 8.151(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8302e-01 1.G2 N = 110.462(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3784e-01 1.F3 C = 174.622(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.8842e-01 1.F3 CA = 58.464(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.8123e-01 1.F3 CB = 41.133(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.8445e-01 1.F3 H = 7.997(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.1414e-01 1.F3 N = 119.346(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.9169e-01 1.R4 CA = 51.309(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.8075e-02 1.R4 CB = 34.165(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.8299e-02 1.R4 H = 8.839(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.2612e-01 1.R4 N = 127.708(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.0494e-02 1.K5 C = 175.025(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.1938e-01 1.K5 CA = 55.559(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.2721e-01 1.K5 CB = 27.918(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.1987e-03 1.M6 C = 174.180(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.3860e-01 1.M6 CA = 54.804(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.5811e-01 1.M6 CB = 34.253(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.7286e-01 1.M6 H = 7.626(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.9066e-01 1.M6 N = 128.097(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.4906e-02 1.A7 C = 177.637(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6143e-01 1.A7 CA = 48.787(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.7915e-02 1.A7 CB = 19.923(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1784e-01 1.A7 H = 8.598(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.0712e-01 1.A7 N = 128.674(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.2408e-01 1.F8 CA = 57.926(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.5222e-01 1.F8 CB = 37.213(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.8394e-01 1.F8 H = 8.835(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.0943e-01 1.F8 N = 120.274(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.6641e-01 1.P9 C = 178.584(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.2453e-01 1.P9 CA = 61.934(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.5840e-01 1.P9 CB = 28.182(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.8806e-03 1.S10 C = 177.404(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.0553e-01 1.S10 CA = 58.894(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3301e-01 1.S10 CB = 64.926(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.4677e-01 1.S10 H = 7.875(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9244e-01 1.S10 N = 114.903(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.9565e-01 1.G11 C = 176.190(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.1719e-01 1.G11 CA = 48.209(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2877e-02 1.G11 H = 10.759(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.8629e-04 1.G11 N = 121.325(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.5985e-03 1.K12 C = 178.335(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.9672e-01 1.K12 CA = 58.217(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.6468e-01 1.K12 CB = 31.941(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.3339e-01 1.K12 H = 9.095(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3147e-01 1.K12 N = 119.227(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2870e-01 1.V13 C = 178.265(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.6389e-01 1.V13 CA = 64.115(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.6991e-01 1.V13 CB = 30.301(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7479e-01 1.V13 H = 7.295(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.3752e-01 1.V13 N = 117.440(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1509e-01 1.E14 C = 179.022(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.6977e-01 1.E14 CA = 59.667(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.6145e-01 1.E14 CB = 29.301(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.8019e-01 1.E14 H = 8.274(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2438e-01 1.E14 N = 121.079(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0644e-01 1.G15 C = 173.969(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5800e-01 1.G15 CA = 45.345(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9702e-01 1.G15 H = 7.250(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6605e-02 1.G15 N = 101.476(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4233e-02 1.C16 C = 173.652(D), Expected = 174.95, Std = 2.0700, ChiSquare = 5.3062e-01 1.C16 CA = 57.145(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.2871e-01 1.C16 CB = 28.447(D), Expected = 32.49, Std = 6.0100, ChiSquare = 5.0113e-01 1.C16 H = 7.905(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.6914e-01 1.C16 N = 115.970(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.6537e-01 1.M17 C = 177.107(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.5737e-01 1.M17 CA = 53.028(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.6695e-01 1.M17 CB = 27.648(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.7087e-02 1.M17 H = 7.051(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.3905e-02 1.M17 N = 118.033(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.6449e-01 1.V18 C = 174.026(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.0150e-01 1.V18 CA = 58.077(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2283e-01 1.V18 CB = 33.674(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.9793e-01 1.V18 H = 8.800(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.4654e-01 1.V18 N = 114.668(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.5400e-01 1.Q19 C = 174.495(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.5197e-01 1.Q19 CA = 53.771(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.9089e-01 1.Q19 CB = 30.239(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.6436e-01 1.Q19 H = 8.689(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.2666e-01 1.Q19 N = 120.781(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.0452e-01 1.V20 C = 173.722(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.1782e-01 1.V20 CA = 60.646(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.1909e-01 1.V20 CB = 32.493(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.9467e-01 1.V20 H = 8.760(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.8300e-01 1.V20 N = 125.427(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4503e-01 1.T21 C = 173.844(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.9251e-01 1.T21 CA = 60.094(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.1173e-01 1.T21 CB = 70.308(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.2289e-01 1.T21 H = 9.119(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.5627e-01 1.T21 N = 123.522(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.8067e-02 1.C22 CA = 57.273(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.5777e-01 1.C22 CB = 26.660(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.3202e-01 1.C22 H = 8.835(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.0658e-01 1.C22 N = 127.483(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.1501e-01 1.G23 H = 9.177(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.9255e-01 1.G23 N = 120.267(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1768e-03 1.T24 C = 174.500(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.8187e-01 1.T24 CA = 60.685(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.5341e-01 1.T24 CB = 68.027(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.9612e-01 1.T24 H = 8.676(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.8192e-01 1.T24 N = 117.928(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9750e-01 1.T25 C = 172.200(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.8367e-01 1.T25 CA = 61.932(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.1146e-01 1.T25 CB = 68.673(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.1668e-01 1.T25 H = 8.066(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.7898e-01 1.T25 N = 122.642(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.2841e-01 1.T26 C = 173.521(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.6260e-01 1.T26 CA = 60.536(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.1557e-01 1.T26 CB = 70.012(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.6265e-01 1.T26 H = 8.528(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4228e-01 1.T26 N = 123.895(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.4390e-02 1.L27 C = 174.096(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.4385e-01 1.L27 CA = 53.352(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8697e-01 1.L27 CB = 39.304(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0983e-01 1.L27 H = 9.189(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4011e-01 1.L27 N = 125.212(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9007e-01 1.N28 C = 172.898(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.8512e-01 1.N28 CA = 51.860(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.7153e-01 1.N28 CB = 40.856(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.9996e-01 1.N28 H = 7.780(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.7406e-01 1.N28 N = 115.653(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.1613e-01 1.G29 C = 170.156(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.8208e-02 1.G29 CA = 42.547(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.6457e-02 1.G29 H = 8.464(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3667e-01 1.G29 N = 102.710(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2106e-02 1.L30 C = 174.222(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6212e-01 1.L30 CA = 52.135(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.0181e-01 1.L30 CB = 44.026(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.6137e-01 1.L30 H = 8.737(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3539e-01 1.L30 N = 122.839(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0179e-01 1.W31 C = 174.445(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.0466e-01 1.W31 CA = 52.877(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.3757e-02 1.W31 CB = 29.431(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.7330e-01 1.W31 H = 10.266(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.2375e-02 1.W31 N = 131.948(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.4031e-02 1.L32 C = 177.011(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9154e-01 1.L32 CA = 51.744(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.8802e-02 1.L32 CB = 43.137(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6001e-01 1.L32 H = 9.000(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.3617e-01 1.L32 N = 127.236(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6806e-01 1.D33 C = 174.812(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.6418e-01 1.D33 CA = 56.126(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.7932e-01 1.D33 CB = 38.119(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.8321e-02 1.D33 H = 8.911(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.0011e-01 1.D33 N = 124.836(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.7816e-01 1.D34 C = 173.229(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.9986e-02 1.D34 CA = 52.138(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.0870e-01 1.D34 CB = 37.334(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.8605e-02 1.D34 H = 8.460(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9593e-01 1.D34 N = 123.164(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.1486e-01 1.V35 C = 173.808(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.4024e-01 1.V35 CA = 60.009(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.8568e-01 1.V35 CB = 33.781(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.5710e-01 1.V35 H = 8.061(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3251e-01 1.V35 N = 119.176(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6531e-01 1.V36 C = 174.565(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.7871e-01 1.V36 CA = 59.236(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.5522e-01 1.V36 CB = 31.541(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.0653e-01 1.V36 H = 8.987(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9820e-01 1.V36 N = 124.866(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1181e-01 1.Y37 C = 176.347(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.3416e-01 1.Y37 CA = 55.278(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.5585e-01 1.Y37 CB = 38.617(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.4483e-01 1.Y37 H = 9.389(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.4309e-01 1.Y37 N = 127.289(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.0703e-01 1.C38 CA = 54.797(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.9282e-01 1.C38 CB = 28.366(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.9259e-01 1.C38 H = 8.936(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.1512e-01 1.C38 N = 118.023(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.4357e-01 1.V42 CA = 62.941(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7470e-01 1.V42 CB = 29.988(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2556e-01 1.V42 H = 7.133(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.4192e-02 1.V42 N = 123.899(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.4338e-01 1.I43 C = 175.038(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.7236e-01 1.I43 H = 7.373(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8226e-01 1.I43 N = 109.843(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.6426e-03 1.C44 C = 176.469(D), Expected = 174.95, Std = 2.0700, ChiSquare = 4.6306e-01 1.C44 CA = 56.722(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.3559e-01 1.C44 CB = 28.806(D), Expected = 32.49, Std = 6.0100, ChiSquare = 5.3989e-01 1.C44 H = 7.812(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.8831e-01 1.C44 N = 120.360(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.6734e-01 1.T45 CA = 60.377(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.7672e-01 1.T45 CB = 70.350(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.0367e-01 1.T45 H = 9.287(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.1275e-02 1.T45 N = 115.698(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.5333e-01 1.S46 Typing: Mistyped 1.S46 C = 177.068(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.5466e-01 1.S46 CA = 61.207(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.2958e-01 1.S46 CB = 70.242(S), Expected = 63.80, Std = 1.4800, ChiSquare = 1.3447e-05 1.S46 H = 8.827(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.5387e-01 1.S46 N = 116.257(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9479e-01 1.E47 C = 178.672(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.5543e-01 1.E47 CA = 57.871(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.9206e-01 1.E47 CB = 27.756(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.9004e-01 1.E47 H = 8.068(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5699e-01 1.E47 N = 120.285(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1191e-01 1.D48 C = 176.857(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.9398e-01 1.D48 CA = 55.510(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.8626e-01 1.D48 CB = 40.465(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.9782e-01 1.D48 H = 7.598(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.1960e-01 1.D48 N = 120.070(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8056e-01 1.M49 C = 177.207(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.2315e-01 1.M49 CA = 55.142(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.6423e-01 1.M49 CB = 29.801(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.5454e-01 1.M49 H = 7.166(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.8253e-02 1.M49 N = 112.857(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.2760e-02 1.L50 C = 177.834(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.6992e-01 1.L50 CA = 56.879(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.5447e-01 1.L50 CB = 39.856(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.9178e-01 1.L50 H = 7.288(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4727e-01 1.L50 N = 119.805(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9825e-01 1.N51 CA = 51.396(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5411e-01 1.N51 CB = 36.716(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.4279e-01 1.N51 H = 7.531(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.9910e-01 1.N51 N = 112.164(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.3170e-02 1.P52 C = 176.478(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.5705e-01 1.P52 CA = 62.907(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.8079e-01 1.P52 CB = 29.701(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.8579e-02 1.N53 C = 175.430(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2878e-01 1.N53 CA = 50.133(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.9950e-02 1.N53 CB = 35.583(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.5995e-02 1.N53 H = 8.361(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7341e-01 1.N53 N = 122.562(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.6746e-01 1.Y54 C = 177.241(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.5490e-01 1.Y54 CA = 63.765(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.4767e-02 1.Y54 CB = 37.432(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.8208e-01 1.Y54 H = 8.080(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.4233e-01 1.Y54 N = 120.330(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.6392e-01 1.E55 C = 178.863(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0676e-01 1.E55 CA = 59.722(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5044e-01 1.E55 CB = 27.227(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.0566e-01 1.E55 H = 8.642(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9693e-01 1.E55 N = 117.390(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.4592e-01 1.D56 C = 178.187(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.0719e-01 1.D56 CA = 55.901(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.5081e-01 1.D56 CB = 40.674(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.9881e-01 1.D56 H = 7.227(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1868e-02 1.D56 N = 119.332(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.3276e-01 1.L57 C = 180.420(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.3216e-02 1.L57 CA = 56.644(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3069e-01 1.L57 CB = 40.588(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.5969e-01 1.L57 H = 8.235(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9386e-01 1.L57 N = 117.945(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1545e-01 1.L58 C = 179.723(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6749e-01 1.L58 CA = 56.670(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.2204e-01 1.L58 CB = 39.653(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.5757e-01 1.L58 H = 8.276(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4358e-01 1.L58 N = 119.264(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0564e-01 1.I59 C = 176.953(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.6564e-01 1.I59 CA = 62.594(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.1350e-01 1.I59 CB = 36.222(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.3323e-01 1.I59 H = 7.412(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0179e-01 1.I59 N = 117.518(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.5704e-01 1.R60 C = 176.517(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.5796e-01 1.R60 CA = 55.420(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.5894e-01 1.R60 CB = 28.547(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.3939e-01 1.R60 H = 6.978(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8560e-02 1.R60 N = 117.129(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.1850e-01 1.K61 C = 174.999(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.1193e-01 1.K61 CA = 52.746(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.6016e-02 1.K61 CB = 31.471(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.5869e-01 1.K61 H = 7.725(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.3834e-01 1.K61 N = 119.182(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2025e-01 1.S62 CA = 55.579(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.2917e-01 1.S62 CB = 64.273(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.4928e-01 1.S62 H = 8.344(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1362e-01 1.S62 N = 115.265(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7308e-01 1.H64 C = 176.337(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.8110e-01 1.H64 CA = 56.495(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.9137e-01 1.H64 CB = 28.453(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.8798e-01 1.H64 H = 7.517(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.8768e-01 1.H64 N = 111.715(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.6179e-02 1.N65 C = 173.236(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.5583e-01 1.N65 CA = 54.148(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.4639e-01 1.N65 CB = 38.372(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.5075e-01 1.N65 H = 7.588(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.3261e-01 1.N65 N = 116.670(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.7494e-01 1.F66 C = 173.158(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.5567e-01 1.F66 CA = 56.485(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.3485e-01 1.F66 CB = 39.391(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.7442e-01 1.F66 H = 7.356(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.6318e-01 1.F66 N = 117.585(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.9309e-01 1.L67 C = 175.809(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.5086e-01 1.L67 CA = 52.713(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7232e-01 1.L67 CB = 40.789(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1849e-01 1.L67 H = 8.903(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0049e-01 1.L67 N = 125.893(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0109e-01 1.V68 C = 174.408(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.2354e-01 1.V68 CA = 59.512(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.9776e-01 1.V68 CB = 30.904(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0768e-01 1.V68 H = 9.031(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.6874e-01 1.V68 N = 128.498(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.0508e-01 1.Q69 C = 173.501(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.4972e-01 1.Q69 CA = 53.441(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.4370e-01 1.Q69 CB = 30.960(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.3079e-01 1.Q69 H = 8.706(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.1009e-01 1.Q69 N = 126.038(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.7678e-02 1.A70 C = 177.496(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.0880e-01 1.A70 CA = 48.896(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2078e-02 1.A70 CB = 18.727(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7710e-01 1.A70 H = 8.894(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4741e-01 1.A70 N = 131.033(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.7508e-02 1.G71 CA = 46.540(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.7451e-01 1.G71 H = 8.993(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0773e-01 1.G71 N = 116.060(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8705e-02 1.N72 C = 174.715(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.5652e-01 1.N72 CA = 52.457(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.6457e-01 1.N72 CB = 37.097(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.4588e-01 1.N72 H = 8.807(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.5853e-01 1.N72 N = 124.927(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.3673e-01 1.V73 C = 174.453(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.3908e-01 1.V73 CA = 61.125(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.3317e-01 1.V73 CB = 31.881(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.3528e-01 1.V73 H = 7.833(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9518e-01 1.V73 N = 121.741(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9468e-01 1.Q74 C = 175.694(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.5208e-01 1.Q74 CA = 54.309(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9072e-01 1.Q74 CB = 27.317(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.0342e-01 1.Q74 H = 8.490(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.4722e-01 1.Q74 N = 126.590(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.2729e-02 1.L75 C = 175.713(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.1896e-01 1.L75 CA = 52.131(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.0142e-01 1.L75 CB = 40.502(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.3620e-01 1.L75 H = 8.274(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4603e-01 1.L75 N = 126.501(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3405e-01 1.R76 C = 175.067(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.0824e-01 1.R76 CA = 55.510(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.8544e-01 1.R76 CB = 29.121(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.8822e-01 1.R76 H = 8.304(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.1644e-01 1.R76 N = 124.560(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.0690e-01 1.V77 C = 176.599(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.0637e-01 1.V77 CA = 61.872(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.2892e-01 1.V77 CB = 29.848(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.0739e-01 1.V77 H = 8.111(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.8934e-01 1.V77 N = 126.062(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.7830e-01 1.I78 C = 175.983(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.4477e-01 1.I78 CA = 59.777(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.9400e-01 1.I78 CB = 37.085(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.4436e-01 1.I78 H = 9.189(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8130e-01 1.I78 N = 121.242(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5938e-01 1.G79 CA = 44.832(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9908e-01 1.G79 H = 7.666(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0700e-01 1.G79 N = 112.042(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.3993e-01 1.H80 C = 172.730(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.0083e-01 1.H80 CA = 54.681(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.2597e-01 1.H80 CB = 31.231(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.3212e-01 1.H80 H = 8.200(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.5309e-01 1.H80 N = 115.657(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.1333e-01 1.S81 C = 171.111(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.1339e-02 1.S81 CA = 56.622(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1081e-01 1.S81 CB = 64.110(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.3409e-01 1.S81 H = 8.261(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7431e-01 1.S81 N = 112.933(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.4168e-01 1.M82 C = 174.262(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.5877e-01 1.M82 CA = 54.192(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.8974e-01 1.M82 CB = 34.470(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.0880e-01 1.M82 H = 8.950(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.5014e-01 1.M82 N = 123.390(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.5529e-01 1.Q83 C = 173.022(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.1766e-02 1.Q83 CA = 53.390(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.3728e-01 1.Q83 CB = 28.716(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.9452e-01 1.Q83 H = 8.974(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.0126e-01 1.Q83 N = 129.762(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.1025e-03 1.N84 C = 174.992(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.7658e-01 1.N84 CA = 54.990(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.4054e-01 1.N84 CB = 36.253(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.4930e-01 1.N84 H = 9.028(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.7481e-01 1.N84 N = 124.001(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.0828e-01 1.C85 C = 174.179(D), Expected = 174.95, Std = 2.0700, ChiSquare = 7.0955e-01 1.C85 CA = 58.104(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.5306e-01 1.C85 CB = 26.659(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.3194e-01 1.C85 H = 8.459(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.1798e-01 1.C85 N = 117.593(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.7863e-01 1.V86 CA = 59.113(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3769e-01 1.V86 CB = 33.600(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.2694e-01 1.V86 H = 8.372(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.0259e-01 1.V86 N = 119.154(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6179e-01 1.L87 C = 174.261(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6812e-01 1.L87 CA = 52.413(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.3216e-01 1.L87 CB = 42.353(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8175e-01 1.L87 H = 9.026(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2072e-01 1.L87 N = 124.772(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5527e-01 1.K88 C = 175.981(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.4178e-01 1.K88 CA = 53.767(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4795e-01 1.K88 CB = 30.476(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.9360e-01 1.K88 H = 8.443(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.7327e-01 1.K88 N = 121.077(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.9429e-01 1.L89 C = 175.125(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4623e-01 1.L89 CA = 51.584(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.8114e-02 1.L89 CB = 39.229(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0125e-01 1.L89 H = 9.495(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1636e-02 1.L89 N = 127.265(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6578e-01 1.K90 C = 176.473(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.3345e-01 1.K90 CA = 54.133(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0039e-01 1.K90 CB = 31.026(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.2168e-01 1.K90 H = 8.345(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.9615e-01 1.K90 N = 127.515(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.6372e-02 1.V91 C = 176.118(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.9324e-01 1.V91 CA = 57.715(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5002e-02 1.V91 CB = 33.610(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.2299e-01 1.V91 H = 8.744(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9802e-01 1.V91 N = 120.078(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1505e-01 1.D92 C = 175.391(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.6423e-01 1.D92 CA = 53.869(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.8589e-01 1.D92 CB = 39.710(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.7016e-01 1.D92 H = 8.102(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1988e-01 1.D92 N = 117.456(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.0798e-01 1.T93 C = 171.935(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.3884e-01 1.T93 CA = 60.294(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.5710e-01 1.T93 CB = 71.405(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.0413e-01 1.T93 H = 6.897(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.0301e-02 1.T93 N = 114.138(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8724e-01 1.A94 C = 177.785(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.8314e-01 1.A94 CA = 48.967(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5068e-02 1.A94 CB = 17.357(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.6638e-01 1.A94 H = 8.580(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2652e-01 1.A94 N = 127.798(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.9691e-01 1.N95 CA = 49.783(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.5673e-02 1.N95 CB = 33.391(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.7156e-03 1.N95 H = 7.982(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.6986e-01 1.N95 N = 121.016(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.0472e-01 1.P96 C = 177.007(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.6485e-01 1.P96 CA = 63.295(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.8163e-01 1.P96 CB = 30.078(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.3318e-01 1.K97 C = 175.584(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.9750e-01 1.K97 CA = 53.777(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4923e-01 1.K97 CB = 29.080(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.7136e-02 1.K97 H = 7.482(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3800e-01 1.K97 N = 118.005(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1927e-01 1.T98 CA = 62.555(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9709e-01 1.T98 CB = 69.864(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3448e-01 1.T98 H = 6.933(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.5025e-02 1.T98 N = 118.767(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.8104e-01 1.P99 C = 176.186(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.0877e-01 1.P99 CA = 61.043(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.3243e-01 1.P99 CB = 30.470(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.4221e-01 1.K100 C = 176.744(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.5853e-01 1.K100 CA = 57.336(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.6072e-01 1.K100 CB = 29.892(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.0351e-01 1.K100 H = 8.377(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5529e-01 1.K100 N = 121.199(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6847e-01 1.Y101 C = 173.946(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.6499e-01 1.Y101 CA = 55.523(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.9897e-01 1.Y101 CB = 41.467(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.2023e-01 1.Y101 H = 8.094(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.5687e-01 1.Y101 N = 122.856(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.7808e-01 1.K102 C = 174.467(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.7726e-01 1.K102 CA = 54.020(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.8292e-01 1.K102 CB = 34.909(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.3387e-01 1.K102 H = 8.809(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0223e-01 1.K102 N = 118.194(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4871e-01 1.F103 C = 175.698(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.8890e-01 1.F103 CA = 52.341(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.5544e-02 1.F103 CB = 35.931(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.2124e-02 1.F103 H = 8.833(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.1122e-01 1.F103 N = 122.734(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.8478e-01 1.V104 C = 173.467(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.5715e-01 1.V104 CA = 59.064(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3095e-01 1.V104 CB = 34.215(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.0676e-01 1.V104 H = 8.268(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.7381e-01 1.V104 N = 120.448(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7885e-01 1.R105 C = 177.440(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.1188e-01 1.R105 CA = 53.696(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.8328e-01 1.R105 CB = 29.050(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.6725e-01 1.R105 H = 8.473(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.0249e-01 1.R105 N = 126.485(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.2239e-01 1.I106 C = 173.964(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.2596e-01 1.I106 CA = 59.566(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.4565e-01 1.I106 CB = 38.618(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.9526e-01 1.I106 H = 8.350(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.1801e-01 1.I106 N = 124.329(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0265e-01 1.Q107 CA = 51.843(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.7183e-02 1.Q107 CB = 27.888(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.7437e-01 1.Q107 H = 8.034(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.5257e-01 1.Q107 N = 117.815(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.6435e-01 1.P108 C = 176.880(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.3139e-01 1.P108 CA = 62.785(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.1993e-01 1.P108 CB = 30.901(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.2126e-01 1.G109 C = 173.565(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7112e-01 1.G109 CA = 43.933(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.9030e-01 1.G109 H = 9.210(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7579e-01 1.G109 N = 113.399(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3526e-01 1.Q110 C = 174.918(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.7532e-01 1.Q110 CA = 55.457(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.0300e-01 1.Q110 CB = 28.142(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.6473e-01 1.Q110 H = 7.665(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.4687e-01 1.Q110 N = 117.988(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.9727e-01 1.T111 C = 175.052(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.7112e-01 1.T111 CA = 58.002(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.0340e-01 1.T111 CB = 71.033(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.2407e-01 1.T111 H = 7.428(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.9030e-01 1.T111 N = 109.868(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.4247e-01 1.F112 C = 173.013(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.2645e-01 1.F112 CA = 55.403(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.9758e-01 1.F112 CB = 37.377(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.1121e-01 1.F112 H = 8.338(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.7562e-01 1.F112 N = 114.349(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4441e-01 1.S113 C = 171.780(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.8705e-02 1.S113 CA = 56.293(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.4101e-01 1.S113 CB = 63.523(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.5153e-01 1.S113 H = 8.706(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7027e-01 1.S113 N = 113.978(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.1313e-01 1.V114 C = 174.608(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.9429e-01 1.V114 CA = 59.923(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6942e-01 1.V114 CB = 32.391(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.4979e-01 1.V114 H = 8.957(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1948e-01 1.V114 N = 123.020(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7880e-01 1.L115 C = 175.386(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.1788e-01 1.L115 CA = 51.474(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.1597e-02 1.L115 CB = 41.482(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.5963e-01 1.L115 H = 8.263(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5951e-01 1.L115 N = 126.319(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5290e-01 1.A116 C = 176.614(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.9706e-01 1.A116 CA = 51.839(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.1114e-01 1.A116 CB = 17.172(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.1520e-01 1.A116 H = 8.719(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.8704e-01 1.A116 N = 131.489(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.9645e-02 1.C117 C = 170.342(D), Expected = 174.95, Std = 2.0700, ChiSquare = 2.6008e-02 1.C117 CA = 57.098(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.1813e-01 1.C117 CB = 30.377(D), Expected = 32.49, Std = 6.0100, ChiSquare = 7.2515e-01 1.C117 H = 8.532(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.3215e-01 1.C117 N = 123.284(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.0214e-01 1.Y118 C = 176.683(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.1911e-01 1.Y118 CA = 57.156(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.9798e-01 1.Y118 CB = 40.317(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.4439e-01 1.Y118 H = 7.974(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.3552e-01 1.Y118 N = 115.003(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.8899e-01 1.N119 C = 175.117(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.3188e-01 1.N119 CA = 53.929(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3608e-01 1.N119 CB = 36.568(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.0925e-01 1.N119 H = 10.455(S), Expected = 8.34, Std = 0.6300, ChiSquare = 7.8752e-04 1.N119 N = 123.474(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.5951e-01 1.G120 C = 172.687(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.2918e-01 1.G120 CA = 44.317(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.4077e-01 1.G120 H = 8.875(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0177e-01 1.G120 N = 104.952(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.2280e-01 1.S121 CA = 54.630(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.8172e-02 1.S121 CB = 63.307(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.3905e-01 1.S121 H = 7.905(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2504e-01 1.S121 N = 115.293(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7917e-01 1.P122 C = 176.111(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.7216e-01 1.P122 CA = 62.661(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.5984e-01 1.P122 CB = 31.525(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.8299e-01 1.S123 CA = 57.940(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.0631e-01 1.S123 CB = 64.570(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.0288e-01 1.S123 H = 9.814(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3224e-03 1.S123 N = 118.255(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7474e-01 1.G124 C = 169.983(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.8682e-02 1.G124 CA = 45.012(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0086e-01 1.G124 H = 7.676(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.1434e-01 1.G124 N = 104.422(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.7508e-01 1.V125 C = 174.254(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.7217e-01 1.V125 CA = 57.662(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1390e-02 1.V125 CB = 34.609(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.9385e-01 1.V125 H = 8.892(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.6892e-01 1.V125 N = 119.883(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8188e-01 1.Y126 C = 171.579(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.4845e-02 1.Y126 CA = 54.750(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.7810e-01 1.Y126 CB = 38.153(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.8901e-01 1.Y126 H = 8.022(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.8311e-01 1.Y126 N = 120.534(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.9734e-01 1.Q127 C = 175.312(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.0879e-01 1.Q127 CA = 53.605(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.6590e-01 1.Q127 CB = 28.658(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.7005e-01 1.Q127 H = 8.375(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.9277e-01 1.Q127 N = 122.535(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.6251e-01 1.C128 C = 170.656(D), Expected = 174.95, Std = 2.0700, ChiSquare = 3.8043e-02 1.C128 CA = 56.179(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.2417e-01 1.C128 CB = 29.424(D), Expected = 32.49, Std = 6.0100, ChiSquare = 6.0995e-01 1.C128 H = 8.700(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.4359e-01 1.C128 N = 121.284(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.1026e-01 1.A129 C = 176.657(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.1114e-01 1.A129 CA = 48.848(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0183e-02 1.A129 CB = 19.265(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8918e-01 1.A129 H = 6.987(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3211e-02 1.A129 N = 117.154(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6092e-02 1.M130 C = 175.031(D), Expected = 176.18, Std = 2.0900, ChiSquare = 5.8248e-01 1.M130 CA = 53.420(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.2771e-01 1.M130 CB = 28.541(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.7016e-02 1.M130 H = 8.282(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.7075e-01 1.M130 N = 120.115(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.9441e-01 1.R131 CA = 52.376(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.7150e-02 1.R131 CB = 24.971(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.7445e-03 1.R131 H = 8.965(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.3463e-01 1.R131 N = 128.906(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.7615e-02 1.P132 C = 175.817(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.3665e-01 1.P132 CA = 64.390(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.8557e-01 1.P132 CB = 31.341(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.6621e-01 1.N133 C = 175.385(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.4877e-01 1.N133 CA = 50.894(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.5929e-01 1.N133 CB = 35.685(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.5386e-02 1.N133 H = 6.980(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.0871e-02 1.N133 N = 111.122(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.2688e-02 1.F134 C = 172.560(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.5066e-01 1.F134 CA = 61.078(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.4340e-01 1.F134 CB = 33.748(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.8210e-03 1.F134 H = 8.394(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.6234e-01 1.F134 N = 110.940(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.2899e-02 1.T135 C = 172.830(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.3125e-01 1.T135 CA = 59.165(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.3818e-01 1.T135 CB = 71.821(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.9955e-01 1.T135 H = 7.041(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3129e-02 1.T135 N = 104.459(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.1023e-02 1.I136 C = 175.440(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.3090e-01 1.I136 CA = 58.717(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8037e-01 1.I136 CB = 39.564(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.4381e-01 1.I136 H = 8.683(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.5342e-01 1.I136 N = 110.518(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.0572e-02 1.K137 C = 176.843(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.1915e-01 1.K137 CA = 53.615(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.2954e-01 1.K137 CB = 28.536(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.6854e-02 1.K137 H = 9.207(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0075e-02 1.K137 N = 125.678(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.1960e-01 1.G138 C = 172.523(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.7369e-01 1.G138 CA = 42.804(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.7433e-02 1.G138 H = 9.334(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2244e-01 1.G138 N = 113.111(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7392e-01 1.S139 C = 173.656(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.7516e-01 1.S139 CA = 55.377(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0632e-01 1.S139 H = 6.225(S), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9573e-04 1.S139 N = 112.080(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.3280e-01 1.F140 C = 174.252(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.5725e-01 1.F140 CA = 55.736(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.6174e-01 1.F140 CB = 42.793(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.7987e-01 1.F140 H = 7.794(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.3180e-01 1.F140 N = 126.293(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.6216e-01 1.L141 CA = 51.939(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.3958e-02 1.L141 H = 8.709(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6117e-01 1.L141 N = 122.757(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1809e-01 1.N142 CB = 37.137(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.5813e-01 1.N142 H = 8.754(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.1109e-01 1.N142 N = 121.379(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.4339e-01 1.G143 C = 174.476(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.4719e-01 1.G143 H = 8.898(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8220e-01 1.G143 N = 113.831(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8229e-01 1.S144 C = 177.656(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7544e-02 1.S144 CA = 57.563(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.7620e-01 1.S144 H = 8.131(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.0062e-01 1.S144 N = 112.251(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.5237e-01 1.A145 C = 177.006(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.3039e-01 1.A145 CA = 53.605(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1433e-01 1.A145 CB = 17.490(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.0620e-01 1.A145 H = 8.739(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6901e-01 1.A145 N = 128.589(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.3007e-01 1.G146 C = 172.988(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.3896e-01 1.G146 CA = 44.068(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.3871e-01 1.G146 H = 9.266(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4987e-01 1.G146 N = 113.792(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8682e-01 1.S147 CA = 61.409(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.9393e-01 1.S147 CB = 62.594(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.1515e-01 1.S147 H = 7.880(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9779e-01 1.S147 N = 113.339(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.0343e-01 1.V148 C = 174.864(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.9071e-01 1.V148 CA = 58.621(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7612e-01 1.V148 CB = 35.451(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2848e-01 1.G149 C = 174.634(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.8446e-01 1.G149 CA = 43.284(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2312e-01 1.G149 H = 9.591(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.2380e-02 1.G149 N = 106.473(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0875e-01 1.F150 C = 171.915(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.8187e-02 1.F150 CA = 55.343(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.8688e-01 1.F150 CB = 41.024(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.2079e-01 1.F150 H = 9.758(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.2178e-02 1.F150 N = 120.870(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1996e-01 1.N151 C = 173.359(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.8570e-01 1.N151 CA = 51.478(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.7273e-01 1.N151 CB = 42.140(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.1209e-02 1.N151 H = 8.408(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.1405e-01 1.N151 N = 116.640(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.6987e-01 1.I152 C = 173.777(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.8028e-01 1.I152 CA = 59.412(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.1213e-01 1.I152 CB = 36.348(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.5860e-01 1.I152 H = 3.344(A), Expected = 8.28, Std = 0.6800, ChiSquare = 3.9047e-13 1.I152 N = 117.003(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9771e-01 1.D153 C = 175.894(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.7247e-01 1.D153 CA = 52.525(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.8620e-01 1.D153 CB = 41.132(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.7638e-01 1.D153 H = 8.304(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9175e-01 1.D153 N = 127.942(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.8876e-02 1.Y154 C = 173.394(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.1344e-01 1.Y154 CA = 60.517(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.4161e-01 1.Y154 CB = 34.615(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.9388e-02 1.Y154 H = 8.835(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.8051e-01 1.Y154 N = 123.459(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.8408e-01 1.D155 C = 174.735(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.4139e-01 1.D155 CA = 52.495(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.7957e-01 1.D155 CB = 39.781(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.9752e-01 1.D155 H = 8.358(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3404e-01 1.D155 N = 121.540(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.1765e-01 1.C156 C = 173.974(D), Expected = 174.95, Std = 2.0700, ChiSquare = 6.3729e-01 1.C156 CA = 56.365(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.6119e-01 1.C156 CB = 27.783(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.3351e-01 1.C156 H = 7.941(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.0276e-01 1.C156 N = 119.547(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.9319e-01 1.V157 C = 174.313(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.9152e-01 1.V157 CA = 61.300(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.7735e-01 1.V157 CB = 30.316(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7746e-01 1.V157 H = 8.964(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1443e-01 1.V157 N = 130.554(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.8119e-02 1.S158 C = 175.354(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.6957e-01 1.S158 CA = 55.091(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.9578e-02 1.S158 CB = 61.779(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.7208e-01 1.S158 H = 8.764(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.1202e-01 1.S158 N = 124.151(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.5347e-02 1.F159 C = 175.822(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.3991e-01 1.F159 CA = 58.334(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.2127e-01 1.F159 CB = 38.982(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.2960e-01 1.F159 H = 9.177(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.5649e-01 1.F159 N = 125.653(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.1323e-01 1.C160 C = 172.916(D), Expected = 174.95, Std = 2.0700, ChiSquare = 3.2580e-01 1.C160 CA = 54.438(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.4615e-01 1.C160 CB = 32.149(D), Expected = 32.49, Std = 6.0100, ChiSquare = 9.5475e-01 1.C160 H = 8.691(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.5325e-01 1.C160 N = 117.523(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.6836e-01 1.Y161 C = 172.067(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.3959e-02 1.Y161 CA = 56.674(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.6186e-01 1.Y161 CB = 42.149(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.9029e-01 1.Y161 H = 7.488(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.5440e-01 1.Y161 N = 125.369(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.4829e-01 1.M162 C = 173.814(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.5761e-01 1.M162 CA = 53.193(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.9085e-01 1.M162 CB = 34.159(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.0176e-01 1.M162 H = 8.780(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.8612e-01 1.M162 N = 127.855(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.9625e-02 1.H163 CA = 57.461(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.8374e-01 1.H163 CB = 31.492(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.4529e-01 1.H163 H = 9.210(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.5373e-01 1.H163 N = 127.195(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.0621e-02 1.M165 C = 172.960(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.2340e-01 1.M165 CA = 53.961(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.3521e-01 1.M165 CB = 34.291(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.6137e-01 1.E166 C = 175.852(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.0163e-01 1.E166 CA = 54.305(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4914e-01 1.E166 CB = 30.373(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.3285e-01 1.E166 H = 8.801(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2469e-01 1.E166 N = 122.894(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2277e-01 1.L167 CA = 52.702(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7070e-01 1.L167 CB = 38.458(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.0468e-02 1.L167 H = 8.960(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.6140e-01 1.L167 N = 127.608(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4052e-01 1.T169 C = 175.496(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.8700e-01 1.T169 CA = 61.286(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.1838e-01 1.G170 C = 173.163(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.0687e-01 1.G170 CA = 44.818(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9136e-01 1.G170 H = 8.449(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5474e-01 1.G170 N = 110.175(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9618e-01 1.V171 C = 174.031(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.0298e-01 1.V171 CA = 58.620(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7601e-01 1.V171 CB = 30.767(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.7280e-01 1.V171 H = 6.198(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7939e-03 1.V171 N = 109.810(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2575e-02 1.H172 C = 172.727(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.0030e-01 1.H172 CA = 58.854(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.1231e-01 1.H172 CB = 33.392(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.2783e-01 1.H172 H = 8.763(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.4182e-01 1.H172 N = 120.921(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.5827e-01 1.A173 C = 177.523(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.1885e-01 1.A173 CA = 49.170(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.4958e-02 1.A173 CB = 22.394(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.4432e-02 1.A173 H = 8.880(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5707e-01 1.A173 N = 121.476(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.2026e-01 1.G174 C = 170.974(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.2346e-01 1.G174 CA = 44.991(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8877e-01 1.G174 H = 9.609(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.9104e-02 1.G174 N = 109.062(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.7516e-01 1.T175 C = 174.869(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.5171e-01 1.T175 CA = 57.831(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0152e-02 1.T175 CB = 72.277(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.1815e-01 1.T175 H = 7.834(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.1257e-01 1.T175 N = 105.567(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.8050e-02 1.D176 C = 178.346(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.6614e-01 1.D176 CA = 52.539(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.8932e-01 1.D176 CB = 39.072(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.6440e-01 1.D176 H = 7.262(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0779e-02 1.D176 N = 117.182(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.6895e-01 1.L177 Typing: Mistyped 1.L177 C = 176.375(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.5610e-01 1.L177 CA = 52.024(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1361e-02 1.L177 CB = 33.711(S), Expected = 42.31, Std = 1.8800, ChiSquare = 4.7865e-06 1.L177 H = 9.185(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4177e-01 1.L177 N = 124.943(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2923e-01 1.E178 C = 176.371(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.9803e-01 1.E178 CA = 54.871(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4129e-01 1.E178 CB = 27.934(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.2744e-01 1.E178 H = 7.300(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.0852e-02 1.E178 N = 114.075(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.8077e-02 1.G179 C = 173.808(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7369e-01 1.G179 CA = 45.139(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7488e-01 1.G179 H = 7.453(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7726e-01 1.G179 N = 104.348(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6907e-01 1.N180 C = 176.485(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.9728e-01 1.N180 CA = 51.404(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5589e-01 1.N180 CB = 37.520(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.8874e-01 1.N180 H = 8.325(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8100e-01 1.N180 N = 120.086(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.7423e-01 1.F181 C = 178.758(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.3467e-02 1.F181 CA = 60.122(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.2687e-01 1.F181 CB = 36.876(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.3624e-01 1.F181 H = 9.688(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.5119e-02 1.F181 N = 127.103(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.1147e-01 1.Y182 C = 175.376(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.9038e-01 1.Y182 CA = 59.042(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.1635e-01 1.Y182 CB = 36.872(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.5707e-01 1.Y182 H = 8.792(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.1791e-01 1.Y182 N = 123.112(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.3714e-01 1.G183 CA = 43.666(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.0886e-01 1.G183 H = 8.008(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.2033e-01 1.G183 N = 111.175(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9736e-01 1.P184 Typing: Suspicious 1.P184 C = 175.295(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.3526e-01 1.P184 CA = 61.955(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.6567e-01 1.P184 CB = 27.738(S), Expected = 31.85, Std = 1.1800, ChiSquare = 4.9260e-04 1.F185 C = 172.767(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.8248e-01 1.F185 CA = 55.632(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.4083e-01 1.F185 CB = 39.527(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.2468e-01 1.F185 H = 6.600(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.4508e-02 1.F185 N = 121.028(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.9002e-01 1.V186 C = 175.013(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4937e-01 1.V186 CA = 57.828(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0309e-01 1.V186 CB = 33.821(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.4219e-01 1.V186 H = 8.435(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2866e-01 1.V186 N = 111.228(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.9017e-02 1.D187 C = 174.567(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.9490e-01 1.D187 CA = 50.956(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5855e-02 1.D187 CB = 35.024(S), Expected = 40.88, Std = 1.6200, ChiSquare = 3.0056e-04 1.D187 H = 8.798(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.0014e-01 1.D187 N = 120.816(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6570e-01 1.R188 C = 174.642(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.8379e-01 1.R188 CA = 53.722(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.8701e-01 1.R188 CB = 31.435(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.8795e-01 1.R188 H = 7.714(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8853e-01 1.R188 N = 117.565(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.7936e-01 1.Q189 C = 174.064(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.4941e-01 1.Q189 CA = 54.374(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.0481e-01 1.Q189 CB = 26.258(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.0718e-01 1.Q189 H = 8.434(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.1682e-01 1.Q189 N = 122.826(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.1475e-01 1.T190 CA = 58.858(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.9426e-01 1.T190 CB = 68.939(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.2748e-01 1.T190 H = 7.631(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.2597e-01 1.T190 N = 117.594(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4718e-01 1.A191 C = 176.882(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.8708e-01 1.A191 CA = 52.361(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.9400e-01 1.A191 CB = 16.052(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.0601e-01 1.A191 H = 8.205(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9335e-01 1.A191 N = 126.926(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.9645e-01 1.Q192 C = 173.853(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.0767e-01 1.Q192 CA = 54.332(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9566e-01 1.Q192 CB = 30.077(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.2600e-01 1.Q192 H = 7.730(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.0625e-01 1.Q192 N = 122.672(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.3965e-01 1.A193 C = 176.472(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.5164e-01 1.A193 CA = 50.570(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9429e-01 1.A193 CB = 19.310(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6978e-01 1.A193 H = 8.428(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0395e-01 1.A193 N = 124.252(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7281e-01 1.A194 C = 178.427(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.4705e-01 1.A194 CA = 50.372(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6212e-01 1.A194 CB = 19.825(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.5606e-01 1.A194 H = 8.571(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3636e-01 1.A194 N = 124.486(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2274e-01 1.G195 C = 173.857(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.9448e-01 1.G195 CA = 43.052(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6359e-02 1.G195 H = 9.284(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4219e-01 1.G195 N = 108.358(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.3460e-01 1.T196 C = 174.257(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.7225e-01 1.T196 CA = 63.306(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.7499e-01 1.T196 CB = 68.032(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.9754e-01 1.T196 H = 8.376(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2637e-01 1.T196 N = 117.153(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.1523e-01 1.D197 C = 175.581(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.3978e-01 1.D197 CA = 52.469(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.7392e-01 1.D197 CB = 40.958(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.6160e-01 1.D197 H = 8.803(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.9533e-01 1.D197 N = 128.520(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.1464e-02 1.T198 C = 173.064(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.0167e-01 1.T198 CA = 59.380(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.7285e-01 1.T198 CB = 70.314(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.2013e-01 1.T198 H = 7.479(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1966e-01 1.T198 N = 114.536(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.5236e-01 1.T199 C = 174.389(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.3163e-01 1.T199 CA = 62.015(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3691e-01 1.T199 CB = 67.741(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.2237e-01 1.T199 H = 7.964(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5620e-01 1.T199 N = 116.638(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.9763e-01 1.I200 C = 176.050(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1704e-01 1.I200 CA = 60.219(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.0374e-01 1.I200 CB = 34.832(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.0081e-02 1.I200 H = 9.780(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.7392e-02 1.I200 N = 128.716(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.0013e-02 1.T201 C = 175.984(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.1196e-01 1.T201 CA = 66.696(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3955e-02 1.T201 CB = 65.529(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.9575e-03 1.T201 H = 7.805(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.8292e-01 1.T201 N = 129.341(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.3816e-03 1.V202 C = 174.457(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.4047e-01 1.V202 CA = 64.232(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.4246e-01 1.V202 CB = 29.045(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.9527e-02 1.V202 H = 8.827(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.2285e-01 1.V202 N = 119.966(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9595e-01 1.N203 C = 179.530(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.7318e-02 1.N203 CA = 53.669(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4529e-01 1.N203 CB = 35.990(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.1012e-01 1.N203 H = 6.702(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.3224e-03 1.N203 N = 122.137(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.2616e-01 1.V204 CA = 65.511(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.9083e-01 1.V204 CB = 29.400(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.2838e-02 1.V204 H = 7.881(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.4157e-01 1.V204 N = 125.370(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.5148e-01 1.L205 C = 178.073(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.8440e-01 1.L205 CA = 57.482(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.8202e-01 1.L205 CB = 40.400(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.0965e-01 1.L205 H = 8.172(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2890e-01 1.L205 N = 117.013(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.1393e-01 1.A206 C = 178.189(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.3304e-01 1.A206 CA = 55.117(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1804e-01 1.A206 CB = 16.628(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.9304e-01 1.A206 H = 8.056(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1033e-01 1.A206 N = 120.685(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7219e-01 1.W207 CA = 60.110(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.4231e-01 1.W207 CB = 27.634(D), Expected = 30.01, Std = 2.0100, ChiSquare = 2.3717e-01 1.W207 H = 8.415(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.7428e-01 1.W207 N = 121.530(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.7137e-01 1.L208 C = 180.709(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.0343e-02 1.L208 H = 8.518(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5771e-01 1.L208 N = 120.104(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5253e-01 1.Y209 C = 178.406(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.3090e-01 1.Y209 CA = 63.646(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.7977e-02 1.Y209 CB = 36.982(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.7907e-01 1.Y209 H = 8.151(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.1692e-01 1.Y209 N = 117.828(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.2155e-01 1.A210 C = 180.021(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8422e-01 1.A210 CA = 53.792(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.4193e-01 1.A210 CB = 15.119(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.3484e-02 1.A210 H = 8.085(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4800e-01 1.A210 N = 122.765(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9549e-01 1.A211 C = 179.313(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.6021e-01 1.A211 CA = 54.376(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.3247e-01 1.A211 CB = 16.028(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.0321e-01 1.A211 H = 8.096(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6239e-01 1.A211 N = 123.728(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8812e-01 1.V212 C = 181.239(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.1028e-03 1.V212 CA = 65.563(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8261e-01 1.V212 CB = 29.741(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.4953e-02 1.V212 H = 7.862(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2295e-01 1.V212 N = 120.408(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7191e-01 1.I213 C = 177.369(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.2886e-01 1.I213 CA = 64.644(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5760e-01 1.I213 CB = 36.286(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.4589e-01 1.I213 H = 8.533(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.0985e-01 1.I213 N = 124.561(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.6874e-01 1.N214 C = 174.522(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.7604e-01 1.N214 CA = 54.133(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.5244e-01 1.N214 CB = 39.494(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.3426e-01 1.N214 H = 7.494(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.7932e-01 1.N214 N = 116.702(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.8036e-01 1.G215 C = 173.428(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1413e-01 1.G215 CA = 45.137(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7370e-01 1.G215 H = 7.788(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0437e-01 1.G215 N = 107.631(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.9828e-01 1.D216 C = 173.683(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.2053e-01 1.D216 CA = 52.885(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.7392e-01 1.D216 CB = 40.125(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.4118e-01 1.D216 H = 8.464(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9061e-01 1.D216 N = 125.987(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.6677e-01 1.R217 C = 177.896(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.6416e-01 1.R217 CA = 53.769(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.9390e-01 1.R217 CB = 30.411(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.7452e-01 1.R217 H = 7.892(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6834e-01 1.R217 N = 115.294(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.3460e-01 1.W218 C = 175.584(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.8973e-01 1.W218 CA = 57.764(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.6785e-01 1.W218 CB = 29.245(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.0350e-01 1.W218 H = 7.349(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.3360e-01 1.W218 N = 120.131(D), Expected = 121.68, Std = 4.1800, ChiSquare = 7.1095e-01 1.F219 C = 175.275(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.4191e-01 1.F219 CA = 54.414(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.5374e-01 1.F219 CB = 35.604(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.5855e-02 1.F219 H = 5.885(S), Expected = 8.36, Std = 0.7200, ChiSquare = 5.8711e-04 1.F219 N = 114.403(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4799e-01 1.L220 C = 176.165(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.7692e-01 1.L220 CA = 54.262(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.2376e-01 1.L220 CB = 38.981(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.6603e-02 1.L220 H = 6.455(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3187e-03 1.L220 N = 124.562(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.8842e-01 1.N221 CA = 51.341(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.4213e-01 1.N221 CB = 39.293(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.2124e-01 1.N221 H = 8.298(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.4685e-01 1.N221 N = 122.266(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.0779e-01 1.R222 C = 176.154(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.9965e-01 1.R222 CA = 54.279(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.8088e-01 1.R222 CB = 27.458(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.6464e-02 1.R222 H = 8.040(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.4301e-01 1.R222 N = 117.394(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.5468e-01 1.F223 C = 174.109(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.1003e-01 1.F223 CA = 55.374(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.9238e-01 1.F223 CB = 38.242(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.0295e-01 1.F223 H = 7.823(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.5577e-01 1.F223 N = 121.273(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.4391e-01 1.T224 C = 174.082(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.9469e-01 1.T224 CA = 60.786(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.7981e-01 1.T224 CB = 69.516(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.9555e-01 1.T224 H = 8.069(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.8270e-01 1.T224 N = 112.925(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9940e-01 1.T225 C = 172.288(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.0070e-01 1.T225 CA = 58.666(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.7000e-01 1.T225 CB = 68.889(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.0589e-01 1.T225 H = 7.805(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.8292e-01 1.T225 N = 117.467(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.6651e-01 1.T226 C = 175.540(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.6991e-01 1.T226 CA = 58.995(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.1307e-01 1.T226 CB = 70.808(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.0839e-01 1.T226 H = 8.466(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.1547e-01 1.T226 N = 111.547(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.1486e-01 1.L227 C = 178.655(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.0040e-01 1.L227 CA = 57.927(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7876e-01 1.L227 CB = 39.705(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.6586e-01 1.L227 H = 9.223(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2659e-01 1.L227 N = 124.265(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3745e-01 1.N228 C = 177.943(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.3536e-01 1.N228 CA = 55.781(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.3325e-01 1.N228 CB = 37.274(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.0210e-01 1.N228 H = 8.579(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.0442e-01 1.N228 N = 115.445(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.8717e-01 1.D229 C = 179.052(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.2966e-01 1.D229 CA = 56.624(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.4074e-01 1.D229 CB = 39.216(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.0434e-01 1.D229 H = 7.835(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.1281e-01 1.D229 N = 119.076(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8344e-01 1.F230 C = 176.676(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.2794e-01 1.F230 CA = 61.711(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.5770e-01 1.F230 CB = 37.418(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.1846e-01 1.F230 H = 8.491(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.5563e-01 1.F230 N = 120.439(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.9790e-01 1.N231 C = 177.864(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.4729e-01 1.N231 CA = 54.910(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.6617e-01 1.N231 CB = 36.309(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.5887e-01 1.N231 H = 8.634(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4074e-01 1.N231 N = 118.860(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.8614e-01 1.L232 C = 179.723(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6749e-01 1.L232 CA = 57.250(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.4412e-01 1.L232 CB = 40.031(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.2542e-01 1.L232 H = 7.495(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5815e-01 1.L232 N = 120.134(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5808e-01 1.V233 CA = 64.675(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.4488e-01 1.V233 CB = 29.920(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1645e-01 1.V233 H = 6.930(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.2372e-02 1.V233 N = 119.225(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7317e-01 1.A234 C = 180.334(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.2328e-01 1.A234 CA = 54.822(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.9561e-01 1.A234 CB = 15.215(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.8101e-02 1.A234 H = 8.337(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1939e-01 1.A234 N = 121.947(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.1703e-01 1.M235 C = 179.496(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.1260e-01 1.M235 CA = 57.998(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.9720e-01 1.M235 CB = 30.977(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.6883e-01 1.M235 H = 7.912(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.6191e-01 1.M235 N = 114.559(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.2131e-01 1.K236 C = 177.167(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.9217e-01 1.K236 CA = 57.348(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5644e-01 1.K236 CB = 29.970(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.1313e-01 1.K236 H = 7.348(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.6052e-01 1.K236 N = 120.165(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.1440e-01 1.Y237 C = 174.922(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.1017e-01 1.Y237 CA = 57.407(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.7331e-01 1.Y237 CB = 37.251(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.3813e-01 1.Y237 H = 7.424(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.1967e-01 1.Y237 N = 116.568(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.4673e-01 1.N238 C = 173.457(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.1113e-01 1.N238 CA = 54.189(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.2993e-01 1.N238 CB = 35.566(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.4527e-02 1.N238 H = 7.889(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.7407e-01 1.N238 N = 115.596(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.0807e-01 1.Y239 C = 176.175(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.9695e-01 1.Y239 CA = 56.641(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.5303e-01 1.Y239 CB = 35.967(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.2059e-01 1.Y239 H = 7.998(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.5914e-01 1.Y239 N = 120.329(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.6373e-01 1.E240 CA = 53.586(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.4002e-02 1.E240 CB = 29.247(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5733e-01 1.E240 H = 8.245(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.8545e-01 1.E240 N = 121.529(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.0503e-01 1.P241 C = 175.997(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.1801e-01 1.P241 CA = 62.285(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.9177e-01 1.P241 CB = 29.830(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6922e-02 1.L242 C = 178.212(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.3712e-01 1.L242 CA = 52.546(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4897e-01 1.L242 CB = 43.256(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.1483e-01 1.L242 H = 9.548(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2592e-02 1.L242 N = 125.434(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5945e-01 1.T243 C = 175.709(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.0656e-01 1.T243 CA = 58.814(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.8849e-01 1.T243 CB = 70.706(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.4932e-01 1.T243 H = 10.163(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.9247e-03 1.T243 N = 119.859(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5003e-01 1.Q244 C = 177.343(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.9629e-01 1.Q244 CA = 57.152(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8565e-01 1.Q244 CB = 26.219(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.0259e-01 1.Q244 H = 8.940(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.2234e-01 1.Q244 N = 119.937(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8958e-01 1.D245 C = 178.967(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.4241e-01 1.D245 CA = 56.559(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.5721e-01 1.D245 CB = 38.781(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.9509e-01 1.D245 H = 7.755(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.3862e-01 1.D245 N = 117.569(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.2476e-01 1.H246 C = 177.374(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.8096e-01 1.H246 CA = 57.812(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.7595e-01 1.H246 CB = 31.220(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.3591e-01 1.H246 H = 7.305(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.6913e-01 1.H246 N = 119.821(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.7387e-01 1.V247 C = 179.492(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.1560e-02 1.V247 CA = 66.094(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0762e-01 1.V247 CB = 29.293(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.4844e-02 1.V247 H = 7.589(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9544e-01 1.V247 N = 118.562(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7014e-01 1.D248 C = 181.027(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.1933e-03 1.D248 CA = 56.949(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.6579e-01 1.D248 CB = 38.647(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6808e-01 1.D248 H = 8.317(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9037e-01 1.D248 N = 120.102(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8710e-01 1.I249 CA = 63.547(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.6983e-01 1.I249 CB = 36.228(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.3440e-01 1.I249 H = 8.036(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.1973e-01 1.I249 N = 120.702(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5943e-01 1.L250 C = 176.359(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.4996e-01 1.L250 CA = 54.513(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.0326e-01 1.L250 CB = 41.329(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0180e-01 1.L250 H = 7.328(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6523e-01 1.L250 N = 120.165(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.6384e-01 1.G251 CA = 47.640(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7459e-02 1.G251 H = 7.774(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9234e-01 1.G251 N = 108.411(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4494e-01 1.P252 C = 179.868(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.8932e-02 1.P252 CB = 29.935(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.0461e-01 1.L253 C = 179.438(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.1632e-01 1.L253 CA = 56.421(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.0687e-01 1.L253 CB = 38.628(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.0170e-02 1.L253 H = 7.372(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8683e-01 1.L253 N = 118.348(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6785e-01 1.S254 C = 177.552(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.8260e-02 1.S254 CA = 59.924(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.6081e-01 1.S254 CB = 61.689(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.5377e-01 1.S254 H = 7.745(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6452e-01 1.S254 N = 117.551(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.1804e-01 1.A255 C = 180.228(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.4278e-01 1.A255 CA = 53.597(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1746e-01 1.A255 CB = 16.422(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.5730e-01 1.A255 H = 8.516(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9842e-01 1.A255 N = 123.835(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6430e-01 1.Q256 C = 177.714(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.7153e-01 1.Q256 CA = 57.681(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.0365e-01 1.Q256 CB = 27.289(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.9625e-01 1.Q256 H = 7.692(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.7083e-01 1.Q256 N = 116.653(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.6856e-01 1.T257 C = 176.055(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.8935e-01 1.T257 CA = 61.569(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.0154e-01 1.T257 CB = 71.421(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.9954e-01 1.T257 H = 7.366(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.5863e-01 1.T257 N = 103.682(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.3468e-02 1.G258 C = 173.642(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.0347e-01 1.G258 CA = 45.072(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3565e-01 1.G258 H = 8.045(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6105e-01 1.G258 N = 111.967(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.5282e-01 1.I259 C = 176.931(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.7342e-01 1.I259 CA = 58.135(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9475e-01 1.I259 CB = 36.816(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.6918e-01 1.I259 H = 7.492(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.4653e-01 1.I259 N = 120.471(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1726e-01 1.A260 C = 178.153(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.4626e-01 1.A260 CA = 51.721(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.7358e-01 1.A260 CB = 16.733(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.1340e-01 1.A260 H = 9.432(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0040e-02 1.A260 N = 136.342(S), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1226e-04 1.V261 C = 179.517(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.0262e-02 1.V261 CA = 65.598(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.7716e-01 1.V261 CB = 29.836(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.0593e-01 1.V261 H = 8.896(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.6574e-01 1.V261 N = 124.893(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.0843e-01 1.L262 C = 179.355(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.3230e-01 1.L262 CA = 57.143(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.7459e-01 1.L262 CB = 37.628(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.2759e-02 1.L262 H = 8.885(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1360e-01 1.L262 N = 117.192(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3134e-01 1.D263 C = 179.234(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.0536e-01 1.D263 CA = 56.192(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.5936e-01 1.D263 CB = 37.846(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.1091e-02 1.D263 H = 6.951(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.9124e-02 1.D263 N = 121.379(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.5020e-01 1.M264 C = 179.929(D), Expected = 176.18, Std = 2.0900, ChiSquare = 7.2848e-02 1.M264 CA = 56.572(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.3587e-01 1.M264 CB = 29.581(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.2804e-01 1.M264 H = 8.041(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.1511e-01 1.M264 N = 124.468(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.2007e-01 1.C265 C = 176.342(D), Expected = 174.95, Std = 2.0700, ChiSquare = 5.0129e-01 1.C265 CA = 63.330(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.3091e-01 1.C265 CB = 24.709(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.9543e-01 1.C265 H = 8.692(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.5217e-01 1.C265 N = 117.900(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.2468e-01 1.A266 C = 180.630(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7484e-01 1.A266 CA = 54.558(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.7389e-01 1.A266 CB = 16.413(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.5586e-01 1.A266 H = 7.708(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.1222e-01 1.A266 N = 123.912(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4723e-01 1.S267 C = 175.977(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.3014e-01 1.S267 CA = 62.145(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.8008e-02 1.S267 CB = 60.925(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.2068e-02 1.S267 H = 7.765(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.8273e-01 1.S267 N = 117.272(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7808e-01 1.L268 C = 176.909(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.6737e-01 1.L268 CA = 56.792(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.8216e-01 1.L268 CB = 38.494(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.2378e-02 1.L268 H = 8.297(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1790e-01 1.L268 N = 124.132(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6019e-01 1.K269 C = 177.288(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.4594e-01 1.K269 CA = 59.369(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7153e-01 1.K269 CB = 30.814(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.6695e-01 1.K269 H = 8.780(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2544e-01 1.K269 N = 119.469(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7495e-01 1.E270 C = 178.889(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0049e-01 1.E270 CA = 58.188(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.7791e-01 1.E270 CB = 27.620(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.6467e-01 1.E270 H = 7.126(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1283e-02 1.E270 N = 116.872(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.7511e-01 1.L271 C = 180.555(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.1781e-02 1.L271 CA = 56.825(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.7158e-01 1.L271 CB = 40.112(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.4234e-01 1.L271 H = 7.623(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.5038e-01 1.L271 N = 120.675(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.6124e-01 1.L272 C = 177.856(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.6184e-01 1.L272 CA = 56.204(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8395e-01 1.L272 CB = 38.613(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.9242e-02 1.L272 H = 8.203(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6687e-01 1.L272 N = 119.779(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9363e-01 1.Q273 C = 177.745(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.6179e-01 1.Q273 CA = 57.282(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3935e-01 1.Q273 CB = 28.542(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.2181e-01 1.Q273 H = 7.405(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.6717e-01 1.Q273 N = 113.562(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.8785e-02 1.N274 C = 176.781(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.9859e-01 1.N274 CA = 52.878(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.2474e-01 1.N274 CB = 39.561(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.0628e-01 1.N274 H = 8.326(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8227e-01 1.N274 N = 114.332(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.5389e-01 1.G275 C = 172.924(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.1483e-01 1.G275 CA = 43.826(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.5541e-01 1.G275 H = 7.636(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8566e-01 1.G275 N = 109.313(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2650e-01 1.M276 C = 177.855(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.2288e-01 1.M276 CA = 55.947(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.4173e-01 1.M276 CB = 32.083(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.8554e-01 1.M276 H = 8.532(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.5031e-01 1.M276 N = 115.193(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.7015e-01 1.N277 C = 175.169(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.5500e-01 1.N277 CA = 53.264(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.8328e-01 1.N277 CB = 36.995(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.1588e-01 1.N277 H = 8.988(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.0368e-01 1.N277 N = 118.320(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.7969e-01 1.G278 C = 174.426(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.6742e-01 1.G278 CA = 44.755(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5702e-01 1.G278 H = 8.498(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9605e-01 1.G278 N = 105.173(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4523e-01 1.R279 C = 174.794(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.2600e-01 1.R279 CA = 54.320(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.8887e-01 1.R279 CB = 29.707(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.8739e-01 1.R279 H = 7.238(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.0046e-01 1.R279 N = 120.544(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.4454e-01 1.T280 C = 175.294(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.6835e-01 1.T280 CA = 58.892(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.9881e-01 1.T280 CB = 71.728(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.2029e-01 1.T280 H = 7.705(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.8819e-01 1.T280 N = 106.515(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.0829e-02 1.I281 CA = 60.943(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.0345e-01 1.I281 CB = 39.022(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.4613e-01 1.I281 H = 8.916(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.4964e-01 1.I281 N = 121.880(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.2183e-01 1.L282 C = 178.256(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.2257e-01 1.L282 CB = 38.755(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8630e-02 1.L282 H = 9.688(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.4892e-02 1.L282 N = 126.809(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0445e-01 1.G283 CA = 44.835(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0073e-01 1.G283 H = 8.939(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.4880e-01 1.G283 N = 103.859(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3321e-01 1.S284 C = 174.000(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.1850e-01 1.S284 H = 8.556(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.3993e-01 1.S284 N = 115.198(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5855e-01 1.A285 C = 174.676(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.5029e-01 1.A285 CA = 50.521(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8593e-01 1.A285 CB = 18.456(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.6209e-01 1.A285 H = 8.158(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4419e-01 1.A285 N = 127.691(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.0761e-01 1.L286 CA = 52.349(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2462e-01 1.L286 CB = 42.549(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9884e-01 1.L286 H = 7.820(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2819e-01 1.L286 N = 117.940(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1484e-01 1.L287 C = 175.470(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.4268e-01 1.L287 CB = 37.263(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2622e-03 1.L287 H = 8.140(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8988e-01 1.L287 N = 120.125(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5641e-01 1.E288 C = 175.576(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.0695e-01 1.E288 CA = 54.567(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.8776e-01 1.E288 CB = 28.981(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.4967e-01 1.E288 H = 4.215(S), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0679e-12 1.D289 C = 176.036(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.3523e-01 1.D289 CA = 51.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.2120e-01 1.D289 CB = 42.687(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.6467e-01 1.D289 H = 7.643(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.5014e-01 1.D289 N = 122.852(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.6836e-01 1.E290 C = 173.079(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.1883e-02 1.E290 CA = 55.160(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0137e-01 1.E290 CB = 26.335(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.2628e-02 1.E290 H = 7.581(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.0427e-01 1.E290 N = 114.472(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4907e-02 1.F291 C = 174.547(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.6088e-01 1.F291 CA = 56.325(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.9468e-01 1.F291 CB = 39.194(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.0331e-01 1.F291 H = 8.734(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.0345e-01 1.F291 N = 115.715(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.5731e-01 1.T292 CA = 59.091(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.2701e-01 1.T292 CB = 68.059(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.0529e-01 1.T292 H = 8.701(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5715e-01 1.T292 N = 110.381(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.8876e-01 1.P293 C = 177.919(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.3883e-01 1.P293 CA = 65.431(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.6690e-01 1.P293 CB = 29.933(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.0425e-01 1.F294 CA = 59.237(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.5257e-01 1.F294 CB = 36.949(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.4566e-01 1.F294 H = 7.645(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.2068e-01 1.F294 N = 115.855(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.7164e-01 1.D295 C = 179.581(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.9108e-02 1.D295 CA = 56.885(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.7957e-01 1.D295 CB = 39.294(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.2757e-01 1.D295 H = 8.340(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5875e-01 1.D295 N = 122.155(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9661e-01 1.V296 C = 177.730(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.6677e-01 1.V296 CA = 66.422(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6919e-01 1.V296 CB = 29.852(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.0787e-01 1.V296 H = 7.965(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2762e-01 1.V296 N = 120.165(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2996e-01 1.V297 C = 179.163(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.2219e-02 1.V297 CA = 65.570(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8151e-01 1.V297 CB = 30.044(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.3347e-01 1.V297 H = 7.845(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.0658e-01 1.V297 N = 120.368(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6498e-01 1.R298 C = 178.024(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.2657e-01 1.R298 CA = 58.654(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.1474e-01 1.R298 CB = 28.351(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.9928e-01 1.R298 H = 8.397(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.9689e-01 1.R298 N = 119.920(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.1100e-01 1.Q299 C = 178.003(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.8528e-01 1.Q299 CA = 57.025(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.3163e-01 1.Q299 CB = 27.698(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.1234e-01 1.Q299 H = 7.535(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.4563e-01 1.Q299 N = 116.175(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.0210e-01 1.C300 C = 174.774(D), Expected = 174.95, Std = 2.0700, ChiSquare = 9.3224e-01 1.C300 CA = 60.509(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.0710e-01 1.C300 CB = 32.038(D), Expected = 32.49, Std = 6.0100, ChiSquare = 9.4005e-01 1.C300 H = 8.525(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.4031e-01 1.C300 N = 114.907(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.5668e-01 1.S301 C = 174.637(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.9211e-01 1.S301 CA = 58.010(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.3160e-01 1.S301 CB = 63.144(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.5759e-01 1.S301 H = 7.941(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.6558e-01 1.S301 N = 113.536(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.3566e-01 1.G302 C = 173.536(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5899e-01 1.G302 CA = 45.217(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2094e-01 1.G302 H = 7.558(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.3495e-01 1.G302 N = 111.355(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6327e-01 1.V303 C = 176.077(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.0992e-01 1.V303 CA = 62.114(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.9540e-01 1.V303 CB = 30.840(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.9103e-01 1.V303 H = 7.446(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.0778e-01 1.V303 N = 119.197(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6867e-01 1.T304 C = 173.510(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.5839e-01 1.T304 CA = 59.674(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.2560e-01 1.T304 CB = 69.946(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.9458e-01 1.T304 H = 7.954(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4459e-01 1.T304 N = 117.606(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4536e-01 1.F305 C = 174.654(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.0029e-01 1.F305 CA = 56.566(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.5579e-01 1.F305 CB = 38.881(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.9568e-01 1.F305 H = 8.059(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.7591e-01 1.F305 N = 120.998(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.9570e-01 1.Q306 CA = 56.319(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.0663e-01 1.Q306 CB = 29.142(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.7896e-01 1.Q306 H = 7.782(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.5786e-01 1.Q306 N = 126.288(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.5532e-02