Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.16 C 0.15 Q 0.12 R 0.1 H 0.1 W 0.06 E 0.03 HN Overlap>> 1.I54 1.I54 C Shift Assignments>> C :: 175.239 CA :: 54.756 CB :: 32.668 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 :: 7.997 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 :: 119.798 Ave N Shift Values>> N :: 120.09(3.57) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.1 D 0.1 Y 0.03 F 0.03 L 0.01 M 0.01 C Shift Assignments>> CA :: 51.724 CB :: 38.218 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 :: 8.218 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 :: 122.215 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 V 0.21 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.698 CA :: 64.612 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.Y4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.24 T 0.2 V 0.18 C 0.08 P 0.06 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 C Shift Assignments>> C :: 178.117(D) CA :: 61.540(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 :: 8.201 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 :: 116.299(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.67 C 0.19 Y 0.04 V 0.04 F 0.03 HN Overlap>> 1.I11 1.I11 2.Q81 2.Q81 C Shift Assignments>> C :: 177.933 CA :: 64.197(D) CB :: 37.326 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 :: 7.727 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 :: 120.590(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.4 C 0.23 Y 0.16 F 0.11 E 0.04 V 0.01 C Shift Assignments>> C :: 178.014 CA :: 61.120(D) CB :: 37.521 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 :: 6.952 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 :: 118.820(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> K 0.23 F 0.18 L 0.17 Y 0.14 D 0.1 C 0.07 R 0.04 I 0.02 C Shift Assignments>> C :: 177.907(D) CA :: 57.306(D) CB :: 41.535 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 :: 7.817 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 :: 118.905(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 174.990(D) CA :: 47.179(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.374 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.241(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 173.520(D) CA :: 47.179(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.359 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.580(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.48 A 0.43 I 0.03 C 0.03 C Shift Assignments>> C :: 180.155(D) CA :: 55.278(D) CB :: 18.552 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.662(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.7 C 0.18 Y 0.05 F 0.04 V 0.02 HN Overlap>> 1.I5 2.Q81 1.I5 2.Q81 C Shift Assignments>> C :: 177.176(D) CA :: 64.162(D) CB :: 37.659 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 :: 7.689 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 :: 120.576(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> K 0.22 F 0.19 L 0.16 Y 0.15 D 0.09 C 0.08 R 0.04 I 0.02 C Shift Assignments>> C :: 177.825(D) CA :: 57.468(D) CB :: 41.513 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 :: 7.666 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 :: 118.098(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.66 A 0.27 I 0.04 C 0.01 C Shift Assignments>> C :: 179.066(D) CA :: 55.210(D) CB :: 17.303 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.240(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.2 T 0.15 V 0.14 C 0.1 S 0.07 F 0.06 Y 0.06 W 0.05 P 0.02 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 HN Overlap>> 1.I37 2.I54 1.I37 2.I54 C Shift Assignments>> C :: 177.389 CA :: 60.912(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 :: 7.687 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 :: 119.335(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.29 S 0.2 T 0.19 I 0.14 P 0.12 C 0.02 C Shift Assignments>> C :: 180.324(D) CA :: 65.818(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 :: 8.764 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 :: 118.009(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.47 C 0.24 V 0.24 Y 0.01 F 0.01 C Shift Assignments>> C :: 177.814(D) CA :: 65.017(D) CB :: 36.155 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 :: 8.402 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 :: 122.561(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.48 P 0.22 A 0.1 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 175.880 CA :: 48.034(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.496 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.154(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.824(D) CA :: 66.111 CB :: 67.474 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) N Shift Assignments>> N :: 124.555 Ave N Shift Values>> N :: 115.42(4.75) 1.T19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.47 T 0.23 I 0.16 S 0.06 C 0.03 P 0.02 C Shift Assignments>> C :: 177.395(D) CA :: 67.663(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 :: 7.945 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 :: 120.637(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> F 0.22 K 0.2 Y 0.17 L 0.13 C 0.09 D 0.07 I 0.04 R 0.03 C Shift Assignments>> C :: 178.611(D) CA :: 57.951(D) CB :: 41.364 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 :: 8.570 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.M21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.24 K 0.16 Q 0.12 M 0.11 V 0.1 R 0.06 W 0.06 H 0.05 E 0.03 HN Overlap>> 1.V98 1.T36 1.V98 1.T36 C Shift Assignments>> C :: 181.481(D) CA :: 58.831(D) CB :: 33.125 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 :: 8.416 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 :: 121.289(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.21 W 0.17 E 0.11 R 0.11 H 0.09 V 0.08 Q 0.05 K 0.05 M 0.04 I 0.03 C Shift Assignments>> C :: 178.593(D) CA :: 59.680(D) CB :: 30.735 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 :: 7.664 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 :: 125.267(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.28 F 0.27 Y 0.26 C 0.15 L 0.01 HN Overlap>> 1.Q81 1.Q81 C Shift Assignments>> C :: 176.294(D) CA :: 60.223(D) CB :: 39.831 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 :: 7.395 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 :: 119.013(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.458(D) CA :: 60.337(D) CB :: 64.232 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.985 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 :: 113.575(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> L 0.28 K 0.24 R 0.16 C 0.14 Q 0.05 H 0.03 W 0.03 I 0.01 E 0.01 C Shift Assignments>> C :: 177.830(D) CA :: 55.939(D) CB :: 25.756(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 :: 7.678 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 :: 121.181(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.779(D) CA :: 46.132(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.172 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.929(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.33 E 0.19 I 0.09 V 0.07 Y 0.06 M 0.06 K 0.06 Q 0.04 F 0.03 C Shift Assignments>> C :: 174.105 CA :: 59.654(D) CB :: 35.457 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 :: 7.959 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 :: 112.838(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.152(D) CA :: 62.101(D) CB :: 70.666 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 :: 7.540 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 :: 102.611(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> H 0.18 R 0.15 C 0.13 Q 0.13 W 0.12 M 0.1 E 0.09 K 0.06 C Shift Assignments>> C :: 178.081(D) CA :: 54.088(D) CB :: 30.326(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 :: 7.493 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 :: 119.999(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.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> F 0.28 Y 0.22 I 0.15 C 0.13 K 0.11 L 0.04 D 0.01 R 0.01 HN Overlap>> 2.L30 2.L30 C Shift Assignments>> C :: 177.369(D) CA :: 59.915(D) CB :: 41.177(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 :: 9.023 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 :: 131.124(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.41 P 0.24 C 0.2 R 0.04 W 0.03 K 0.02 C Shift Assignments>> CA :: 61.734(D) CB :: 26.248 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 :: 9.242 HE1 :: 10.432 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 :: 119.101(D) NE1 :: 130.154 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.48 P 0.38 C 0.09 I 0.02 C Shift Assignments>> C :: 178.620(D) CA :: 65.373(D) CB :: 31.693 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) N Shift Assignments>> N :: 132.859 Ave N Shift Values>> N :: 134.16(6.62) 1.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 175.383(D) CA :: 63.805(D) CB :: 62.596 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.231 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 :: 114.112(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.67 P 0.21 C 0.09 I 0.01 HN Overlap>> 2.A42 2.A42 C Shift Assignments>> C :: 178.190(D) CA :: 66.578(D) CB :: 31.943 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 :: 8.381 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 :: 121.960(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.5 P 0.2 C 0.1 A 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 174.796(D) CA :: 48.011(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.685 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.069(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.V98 1.V98 1.M21 2.A48 1.M21 2.A48 C Shift Assignments>> C :: 175.178(D) CA :: 68.693(D) CB :: 68.961 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 :: 8.478 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 :: 121.358(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.78 C 0.15 Y 0.02 V 0.02 F 0.02 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 178.144 CA :: 65.678(D) CB :: 37.911 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 :: 7.619 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 :: 119.418(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.79 C 0.14 Y 0.02 F 0.02 V 0.01 C Shift Assignments>> C :: 176.241(D) CA :: 65.726(D) CB :: 38.161 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 :: 8.484 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 :: 119.751(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> P 0.49 I 0.41 C 0.08 C Shift Assignments>> C :: 177.559(D) CA :: 65.332(D) CB :: 26.778 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.276 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 :: 117.470(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Y40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.3 E 0.24 Y 0.09 I 0.09 M 0.06 K 0.05 F 0.04 V 0.04 Q 0.03 C Shift Assignments>> C :: 178.898 CA :: 59.126(D) CB :: 35.841 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 :: 8.941 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 :: 119.815(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 I 0.43 C 0.08 C Shift Assignments>> C :: 176.447 CA :: 65.420(D) CB :: 27.344 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.724 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 :: 118.809 Ave N Shift Values>> N :: 120.17(4.64) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.57 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 178.536(D) CA :: 55.162(D) CB :: 17.923 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.678(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 177.614(D) CA :: 62.874(D) CB :: 64.707 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.532 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 :: 111.734(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.23 T 0.21 I 0.17 P 0.16 S 0.1 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 175.477(D) CA :: 62.666(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 :: 8.763 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 :: 116.301(D) Ave N Shift Values>> N :: 120.45(4.18) 1.W45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 E 0.13 W 0.13 H 0.13 K 0.12 C 0.12 R 0.12 M 0.04 I 0.01 C Shift Assignments>> CA :: 56.909 CB :: 29.516 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 :: 8.016 HE1 :: 10.494 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 :: 124.302 NE1 :: 131.304 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.22 F 0.22 Y 0.17 L 0.12 C 0.09 D 0.05 I 0.04 R 0.04 C Shift Assignments>> C :: 179.631 CA :: 58.241 CB :: 41.535 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) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> K 0.24 F 0.19 L 0.16 Y 0.14 D 0.08 C 0.08 R 0.05 I 0.02 C Shift Assignments>> C :: 179.234(D) CA :: 57.611(D) CB :: 41.622 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 :: 8.861 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 :: 121.404(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.59 A 0.35 I 0.02 C 0.01 C Shift Assignments>> C :: 179.091(D) CA :: 54.732(D) CB :: 17.378 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.681(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> L 0.26 K 0.22 R 0.18 C 0.15 Q 0.06 H 0.03 W 0.03 I 0.02 E 0.01 C Shift Assignments>> C :: 177.651 CA :: 56.050(D) CB :: 25.883 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 :: 7.168 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 :: 113.430(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.21 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 176.796(D) CA :: 64.606(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 :: 7.850 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 :: 110.428 Ave N Shift Values>> N :: 115.42(4.75) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> Y 0.26 F 0.24 C 0.15 D 0.1 N 0.07 L 0.05 I 0.05 E 0.01 C Shift Assignments>> C :: 177.366(D) CA :: 56.676(D) CB :: 38.977 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 :: 7.344 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 :: 121.716(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> A 0.7 M 0.27 C 0.01 C Shift Assignments>> C :: 177.441(D) CA :: 53.002(D) CB :: 17.928 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.627 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.584(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> F 0.25 Y 0.2 K 0.17 L 0.11 C 0.1 D 0.06 I 0.06 R 0.02 C Shift Assignments>> C :: 175.198(D) CA :: 58.266(D) CB :: 41.214 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 :: 7.714 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 :: 113.951(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 HN Overlap>> 1.M1 1.M1 C Shift Assignments>> CA :: 57.584(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 :: 7.913 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 :: 119.749(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.24 T 0.22 I 0.18 P 0.14 S 0.09 C 0.05 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.970 CA :: 62.494 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.T56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 2.M91 2.L74 2.M91 2.L74 C Shift Assignments>> C :: 176.565(D) CA :: 66.516(D) CB :: 69.010 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 :: 8.552 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 :: 120.058 Ave N Shift Values>> N :: 115.42(4.75) 1.G57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 176.511(D) CA :: 46.969(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.191 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.321(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.52 C 0.25 V 0.15 Y 0.03 F 0.02 C Shift Assignments>> C :: 177.807(D) CA :: 64.279(D) CB :: 36.422(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 :: 6.951 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 :: 121.694(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.57 A 0.32 I 0.05 C 0.03 C Shift Assignments>> C :: 179.324(D) CA :: 55.608(D) CB :: 18.257 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.102 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.371(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.44 Y 0.19 C 0.18 F 0.16 E 0.01 C Shift Assignments>> C :: 178.722(D) CA :: 61.232(D) CB :: 38.456 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 :: 9.004 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 :: 117.654(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> A 0.53 M 0.32 C 0.06 I 0.02 L 0.02 V 0.02 C Shift Assignments>> C :: 178.842(D) CA :: 55.337(D) CB :: 19.372 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.203 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.266(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.79 C 0.13 F 0.03 Y 0.03 HN Overlap>> 2.C39 2.C39 C Shift Assignments>> C :: 176.753(D) CA :: 65.168(D) CB :: 38.835 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 :: 8.293 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 :: 116.970(D) Ave N Shift Values>> N :: 121.46(4.28) 1.W63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.19 W 0.17 E 0.13 R 0.1 H 0.09 Q 0.08 K 0.07 I 0.07 V 0.04 M 0.02 C Shift Assignments>> C :: 179.442(D) CA :: 59.543(D) CB :: 29.952 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 :: 8.482 HE1 :: 11.480 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 :: 120.839(D) NE1 :: 136.449(S) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> P 0.28 V 0.24 T 0.21 I 0.16 C 0.04 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.370(D) CA :: 63.223(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.353 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 :: 111.558(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.72 C 0.09 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 173.413(D) CA :: 47.653(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.915 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.976(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.57 P 0.3 C 0.09 I 0.01 C Shift Assignments>> C :: 178.098(D) CA :: 65.934(D) CB :: 31.909 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 :: 8.528 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 :: 118.165(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 175.725(D) CA :: 47.073(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.899 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.455(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.81 C 0.13 Y 0.02 F 0.02 C Shift Assignments>> C :: 178.659(D) CA :: 65.861(D) CB :: 38.484 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 :: 8.235 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 :: 119.729(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.83 C 0.12 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.411 CA :: 66.681(D) CB :: 38.472 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 :: 7.158 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 :: 119.826(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.18 L 0.14 Y 0.14 R 0.08 C 0.08 D 0.06 I 0.03 C Shift Assignments>> C :: 179.190(D) CA :: 58.040(D) CB :: 41.904 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 :: 8.720 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 :: 118.305 Ave N Shift Values>> N :: 121.86(3.9) 1.I71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.39 C 0.31 V 0.14 Y 0.05 F 0.03 E 0.03 C Shift Assignments>> C :: 179.578(D) CA :: 62.711(D) CB :: 36.166 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 :: 9.360 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 :: 119.192(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 2.R29 2.R29 C Shift Assignments>> C :: 176.967(D) CA :: 63.124(D) CB :: 62.556 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.533 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 :: 120.962(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> K 0.25 F 0.18 L 0.14 Y 0.13 R 0.11 C 0.08 D 0.05 I 0.03 C Shift Assignments>> C :: 178.802 CA :: 58.199(D) CB :: 42.066 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 :: 8.205 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 :: 124.305(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> F 0.26 Y 0.22 K 0.12 L 0.11 C 0.11 D 0.07 I 0.06 R 0.01 HN Overlap>> 2.L85 2.Y40 2.L85 2.Y40 C Shift Assignments>> C :: 178.963(D) CA :: 58.102(D) CB :: 40.930(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 :: 8.649 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 :: 118.952(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.26 T 0.24 I 0.19 P 0.15 C 0.05 F 0.02 Y 0.02 S 0.01 W 0.01 C Shift Assignments>> C :: 177.297(D) CA :: 62.505(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.237 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 :: 114.902(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.09 W 0.08 T 0.06 V 0.06 E 0.04 K 0.04 R 0.03 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 178.000(D) CA :: 59.767(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 :: 7.942 HE1 :: 10.372 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 :: 126.160(D) NE1 :: 130.641 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 173.744(D) CA :: 46.940(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.238 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.825(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> Y 0.27 I 0.22 F 0.21 C 0.2 E 0.04 C Shift Assignments>> C :: 176.806(D) CA :: 59.257(D) CB :: 38.231 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 :: 8.362 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 :: 113.904(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> D 0.25 F 0.16 N 0.15 Y 0.14 L 0.14 C 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 176.479(D) CA :: 55.200(D) CB :: 39.997 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 :: 6.849 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 :: 112.304(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.861(D) CA :: 46.309(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.488 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.583(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.27 C 0.24 K 0.22 E 0.06 H 0.05 R 0.05 W 0.03 V 0.01 Y 0.01 HN Overlap>> 1.F23 1.F23 C Shift Assignments>> C :: 174.364(D) CA :: 56.065(D) CB :: 34.131 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 :: 7.393 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 :: 118.934(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> H 0.17 R 0.16 Q 0.12 C 0.12 W 0.12 E 0.11 M 0.1 K 0.06 C Shift Assignments>> C :: 175.325(D) CA :: 55.052(D) CB :: 30.482(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 :: 8.054 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 :: 126.758(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.L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 D 0.17 G 0.13 C 0.04 F 0.03 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 174.816(D) CA :: 53.046(D) CB :: 43.452 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 :: 7.050 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 :: 122.558 Ave N Shift Values>> N :: 121.86(3.9) 1.D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> N 0.56 D 0.23 C 0.07 L 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.338(D) CA :: 50.976(D) CB :: 39.677(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 :: 7.487 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 :: 119.268(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> F 0.27 Y 0.21 K 0.16 C 0.11 I 0.1 L 0.07 D 0.03 R 0.02 C Shift Assignments>> C :: 176.035 CA :: 59.175(D) CB :: 41.280 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 :: 8.693 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 :: 118.524(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.6 P 0.27 C 0.09 I 0.01 C Shift Assignments>> C :: 177.824(D) CA :: 66.190(D) CB :: 31.783 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) N Shift Assignments>> N :: 132.913 Ave N Shift Values>> N :: 134.16(6.62) 1.A87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.52 A 0.37 I 0.04 C 0.03 C Shift Assignments>> C :: 178.893(D) CA :: 55.552(D) CB :: 18.488 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.515 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.240(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.77 C 0.13 Y 0.04 F 0.04 C Shift Assignments>> C :: 178.468 CA :: 64.786(D) CB :: 38.600 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 :: 8.142 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 :: 117.984(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.71 C 0.17 Y 0.04 F 0.03 V 0.02 C Shift Assignments>> C :: 178.472(D) CA :: 64.318(D) CB :: 37.698 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 :: 8.776 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 :: 119.424(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.73 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 HN Overlap>> 2.G90 2.G90 C Shift Assignments>> C :: 175.926(D) CA :: 47.642(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.735 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.706(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.29 V 0.24 K 0.11 Q 0.06 W 0.06 M 0.06 R 0.05 H 0.03 E 0.02 P 0.02 C Shift Assignments>> CA :: 60.159(D) CB :: 33.058 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 :: 8.788 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 :: 120.709(D) Ave N Shift Values>> N :: 120.09(3.57) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.01 C Shift Assignments>> CA :: 58.750 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) N Shift Assignments>> N :: 119.359 Ave N Shift Values>> N :: 120.09(3.57) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.11 L 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.06 E 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> CA :: 55.863 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) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> I 0.69 C 0.15 Y 0.07 F 0.06 C Shift Assignments>> CA :: 63.678 CB :: 38.471 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) N Shift Assignments>> N :: 118.001 Ave N Shift Values>> N :: 121.46(4.28) 1.C95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.49 I 0.37 C 0.1 W 0.01 C Shift Assignments>> CA :: 63.353 CB :: 27.042 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) N Shift Assignments>> N :: 118.325 Ave N Shift Values>> N :: 120.17(4.64) 1.A96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> M 0.51 A 0.37 I 0.05 C 0.04 V 0.01 C Shift Assignments>> C :: 179.086(D) CA :: 55.626 CB :: 18.603 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) N Shift Assignments>> N :: 118.758 Ave N Shift Values>> N :: 123.23(3.54) 1.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> P 0.48 G 0.18 A 0.15 C 0.06 N 0.05 D 0.01 C Shift Assignments>> C :: 175.000 CA :: 48.425(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.468 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.129(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.71 P 0.17 C 0.09 I 0.01 HN Overlap>> 1.T36 1.M21 2.A48 1.T36 1.M21 2.A48 C Shift Assignments>> C :: 179.237 CA :: 66.817(D) CB :: 31.925 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 :: 8.446 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 :: 121.371(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.24 F 0.2 Y 0.15 L 0.11 C 0.09 R 0.09 I 0.04 D 0.03 C Shift Assignments>> CA :: 58.710 CB :: 41.972 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) N Shift Assignments>> N :: 120.038 Ave N Shift Values>> N :: 121.86(3.9) 1.I100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.28 Y 0.24 C 0.12 K 0.1 I 0.09 L 0.08 D 0.05 C Shift Assignments>> C :: 177.720(D) CA :: 58.558 CB :: 40.805 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) 1.I101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.28 S 0.21 T 0.19 I 0.13 P 0.12 C 0.02 C Shift Assignments>> C :: 176.822(D) CA :: 65.693(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 :: 8.016 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 :: 117.780(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> Y 0.21 F 0.2 N 0.15 D 0.15 C 0.14 L 0.07 I 0.03 E 0.01 C Shift Assignments>> C :: 176.098(D) CA :: 55.837(D) CB :: 39.047 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 :: 7.593 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 :: 114.035(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> L 0.3 R 0.29 D 0.11 K 0.09 F 0.06 C 0.05 Y 0.04 G 0.03 C Shift Assignments>> C :: 177.356 CA :: 55.620(D) CB :: 43.105 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 :: 8.191 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 :: 114.781(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.66 L 0.2 C 0.04 R 0.03 D 0.02 F 0.01 C Shift Assignments>> C :: 176.682(D) CA :: 54.455(D) CB :: 45.147 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 :: 7.567 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 :: 115.152(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.482(D) CA :: 58.746(D) CB :: 63.534(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.109 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 :: 112.481(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> H 0.15 Q 0.15 R 0.13 W 0.12 E 0.12 K 0.11 C 0.11 M 0.05 C Shift Assignments>> C :: 176.642(D) CA :: 55.543(D) CB :: 29.708(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 :: 9.349 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 :: 127.288(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.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.027 CA :: 58.561 CB :: 63.162 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.433 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 :: 116.975 Ave N Shift Values>> N :: 116.28(3.52) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 58.989 CB :: 69.286 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 :: 7.630 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 :: 116.584 Ave N Shift Values>> N :: 115.42(4.75) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.38 V 0.3 C 0.16 I 0.06 W 0.04 R 0.01 C Shift Assignments>> C :: 175.818 CA :: 63.173 CB :: 30.974 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.H110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 H 0.14 E 0.13 K 0.13 W 0.13 R 0.11 C 0.11 M 0.04 I 0.01 HN Overlap>> 2.H110 2.H110 C Shift Assignments>> CA :: 56.624 CB :: 29.447 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 :: 7.800 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 :: 123.917 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.16 C 0.15 Q 0.12 R 0.1 H 0.1 W 0.06 E 0.03 C Shift Assignments>> C :: 175.146 CA :: 54.633 CB :: 32.697 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 :: 7.942 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 :: 119.968 Ave N Shift Values>> N :: 120.09(3.57) 2.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.1 C 0.09 F 0.03 Y 0.03 L 0.01 C Shift Assignments>> CA :: 51.363 CB :: 38.306 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 :: 8.293 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 :: 122.626 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 P 0.19 V 0.19 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 178.048 CA :: 64.279 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) 2.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 T 0.21 V 0.19 C 0.07 P 0.06 F 0.04 Y 0.04 S 0.03 W 0.03 C Shift Assignments>> C :: 178.425 CA :: 61.664 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 :: 8.319 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 :: 116.756 Ave N Shift Values>> N :: 120.52(4.2) 2.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.11 C 0.02 C Shift Assignments>> C :: 178.301 CA :: 64.318 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 :: 7.819 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 :: 121.561 Ave N Shift Values>> N :: 121.46(4.28) 2.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 T 0.17 V 0.16 C 0.1 S 0.06 F 0.05 Y 0.05 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.162 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 :: 6.971 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 :: 119.352 Ave N Shift Values>> N :: 120.52(4.2) 2.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> K 0.25 F 0.17 L 0.16 Y 0.12 R 0.1 C 0.07 D 0.06 I 0.02 C Shift Assignments>> C :: 178.860(D) CA :: 57.816 CB :: 41.995 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) N Shift Assignments>> N :: 119.365 Ave N Shift Values>> N :: 121.86(3.9) 2.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 175.762(D) CA :: 47.136(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.784 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.793(D) Ave N Shift Values>> N :: 109.67(3.87) 2.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.8 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.423(D) CA :: 47.412(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.779 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.877(D) Ave N Shift Values>> N :: 109.67(3.87) 2.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> A 0.5 M 0.4 C 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 181.691(D) CA :: 55.219(D) CB :: 18.923 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.828 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.161(D) Ave N Shift Values>> N :: 123.23(3.54) 2.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.74 C 0.15 Y 0.04 F 0.04 V 0.01 C Shift Assignments>> C :: 177.225(D) CA :: 64.467(D) CB :: 38.145 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 :: 8.193 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 :: 120.514(D) Ave N Shift Values>> N :: 121.46(4.28) 2.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> K 0.24 F 0.2 Y 0.15 L 0.13 C 0.08 D 0.06 R 0.05 I 0.03 C Shift Assignments>> C :: 178.330(D) CA :: 58.136(D) CB :: 41.688 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 :: 8.426 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 :: 121.131(D) Ave N Shift Values>> N :: 121.86(3.9) 2.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.65 A 0.26 I 0.04 C 0.02 C Shift Assignments>> C :: 179.293(D) CA :: 55.389(D) CB :: 17.501 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.702 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.286(D) Ave N Shift Values>> N :: 123.23(3.54) 2.Q14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.19 I 0.18 W 0.14 K 0.11 E 0.09 Q 0.08 H 0.07 R 0.06 L 0.01 C Shift Assignments>> C :: 177.691(D) CA :: 59.674(D) CB :: 28.499 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 :: 7.625 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 :: 117.096(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.33 T 0.21 S 0.17 I 0.14 P 0.09 C 0.02 C Shift Assignments>> C :: 179.057(D) CA :: 66.227(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 :: 8.303 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 :: 121.233(D) Ave N Shift Values>> N :: 121.14(4.54) 2.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.72 C 0.18 V 0.04 Y 0.02 F 0.02 HN Overlap>> 2.L47 2.L47 C Shift Assignments>> C :: 177.903 CA :: 65.075(D) CB :: 37.416 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 :: 8.584 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 :: 122.431(D) Ave N Shift Values>> N :: 121.46(4.28) 2.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.68 C 0.1 P 0.08 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 174.381(D) CA :: 47.742(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.367 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.007(D) Ave N Shift Values>> N :: 109.67(3.87) 2.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 65.988(D) CB :: 68.907 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 :: 8.736 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 :: 120.043(D) Ave N Shift Values>> N :: 115.42(4.75) 2.T19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.46 T 0.23 I 0.16 S 0.06 C 0.03 P 0.03 C Shift Assignments>> C :: 176.193(D) CA :: 67.622(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) N Shift Assignments>> N :: 119.803 Ave N Shift Values>> N :: 115.42(4.75) 2.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> K 0.25 F 0.19 L 0.15 Y 0.14 C 0.08 R 0.07 D 0.06 I 0.03 C Shift Assignments>> C :: 178.871(D) CA :: 57.894(D) CB :: 41.803 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 :: 8.181 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 :: 120.823(D) Ave N Shift Values>> N :: 121.86(3.9) 2.M21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.22 K 0.13 W 0.11 R 0.1 V 0.1 M 0.09 H 0.08 E 0.08 Q 0.03 C Shift Assignments>> C :: 181.157(D) CA :: 59.033(D) CB :: 32.078 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 :: 8.122 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 :: 121.097(D) Ave N Shift Values>> N :: 120.09(3.57) 2.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.14 R 0.13 H 0.12 Q 0.09 K 0.06 M 0.05 V 0.03 I 0.02 C Shift Assignments>> C :: 178.153 CA :: 58.502(D) CB :: 30.505 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 :: 7.664 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 :: 123.073(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.F23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> Y 0.26 C 0.22 F 0.19 I 0.16 E 0.09 M 0.01 HN Overlap>> 2.A87 2.A87 C Shift Assignments>> C :: 175.583(D) CA :: 58.552(D) CB :: 37.834(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 :: 7.524 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 :: 117.911(D) Ave N Shift Values>> N :: 120.45(4.18) 2.S24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.757(D) CA :: 60.075(D) CB :: 65.029 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.868 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 :: 115.200(D) Ave N Shift Values>> N :: 116.28(3.52) 2.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> L 0.28 R 0.21 C 0.14 K 0.13 Q 0.08 H 0.04 W 0.04 E 0.02 I 0.02 C Shift Assignments>> C :: 178.094(D) CA :: 55.887(D) CB :: 26.238(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 :: 8.072 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 :: 122.323(D) Ave N Shift Values>> N :: 120.67(3.48) 2.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.715(D) CA :: 46.892(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.143 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.246(D) Ave N Shift Values>> N :: 109.67(3.87) 2.F27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.29 E 0.26 Y 0.1 I 0.09 M 0.06 F 0.05 K 0.04 V 0.03 Q 0.02 C Shift Assignments>> C :: 173.941 CA :: 58.974(D) CB :: 36.015 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 :: 7.900 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 :: 114.105(D) Ave N Shift Values>> N :: 120.45(4.18) 2.T28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.461(D) CA :: 61.930(D) CB :: 70.820 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 :: 7.503 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 :: 102.865(D) Ave N Shift Values>> N :: 115.42(4.75) 2.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> H 0.17 R 0.14 Q 0.14 C 0.12 W 0.12 E 0.09 K 0.08 M 0.08 HN Overlap>> 1.S72 1.S72 C Shift Assignments>> C :: 177.848(D) CA :: 54.228(D) CB :: 29.975(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 :: 7.547 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 :: 121.015(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) 2.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> F 0.26 Y 0.2 K 0.17 C 0.12 I 0.11 L 0.06 R 0.03 D 0.01 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 177.529(D) CA :: 59.628(D) CB :: 41.503(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 :: 8.930 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 :: 131.145(D) Ave N Shift Values>> N :: 121.86(3.9) 2.W31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.41 P 0.24 C 0.2 R 0.04 W 0.03 K 0.02 C Shift Assignments>> C :: 177.593 CA :: 61.723(D) CB :: 26.255(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 :: 9.195 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 :: 118.948(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.P32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.48 P 0.38 C 0.09 I 0.02 C Shift Assignments>> C :: 179.060(D) CA :: 65.362(D) CB :: 31.674 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) N Shift Assignments>> N :: 132.967 Ave N Shift Values>> N :: 134.16(6.62) 2.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.247(D) CA :: 63.445(D) CB :: 62.506 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.227 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 :: 115.650(D) Ave N Shift Values>> N :: 116.28(3.52) 2.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.55 P 0.2 C 0.12 I 0.1 C Shift Assignments>> C :: 178.497(D) CA :: 66.476(D) CB :: 30.707(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 :: 8.388 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 :: 122.140(D) Ave N Shift Values>> N :: 121.14(4.54) 2.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.65 C 0.1 P 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 174.871(D) CA :: 47.786(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.797 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.934(D) Ave N Shift Values>> N :: 109.67(3.87) 2.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.53 T 0.23 I 0.15 C 0.03 S 0.02 P 0.01 C Shift Assignments>> CA :: 68.385(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 :: 8.262 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 :: 121.611(D) Ave N Shift Values>> N :: 115.42(4.75) 2.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.28 S 0.21 T 0.19 I 0.13 P 0.12 C 0.02 C Shift Assignments>> C :: 177.660 CA :: 65.744(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 :: 7.738 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 :: 118.815(D) Ave N Shift Values>> N :: 121.46(4.28) 2.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.28 P 0.21 V 0.18 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 177.744 CA :: 63.924 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) 2.C39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 I 0.41 C 0.1 HN Overlap>> 1.I62 1.I62 C Shift Assignments>> C :: 177.825 CA :: 65.321(D) CB :: 26.242 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.271 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 :: 117.050 Ave N Shift Values>> N :: 120.17(4.64) 2.Y40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> CA :: 58.663(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 :: 8.576 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 :: 118.949(D) Ave N Shift Values>> N :: 120.52(4.2) 2.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.26 V 0.22 T 0.17 P 0.17 I 0.12 C 0.02 C Shift Assignments>> C :: 179.066 CA :: 64.911 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) 2.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 C 0.02 HN Overlap>> 1.V34 1.V34 C Shift Assignments>> C :: 178.773(D) CA :: 55.191(D) CB :: 17.701 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.002 Ave N Shift Values>> N :: 123.23(3.54) 2.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 177.557(D) CA :: 62.339(D) CB :: 64.673 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.326 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 :: 112.697(D) Ave N Shift Values>> N :: 116.28(3.52) 2.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.62 C 0.17 Y 0.09 F 0.08 C Shift Assignments>> C :: 175.454 CA :: 62.974(D) CB :: 38.121 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 :: 8.553 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 :: 121.652(D) Ave N Shift Values>> N :: 120.45(4.18) 2.W45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.09 Q 0.09 E 0.09 H 0.09 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 56.946 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 :: 8.058 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 :: 123.662 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.L46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 179.356 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) 2.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.18 R 0.17 F 0.14 Y 0.1 C 0.07 D 0.06 I 0.01 HN Overlap>> 2.I16 2.I16 C Shift Assignments>> C :: 179.208(D) CA :: 57.527(D) CB :: 42.345 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 :: 8.580 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 :: 122.436 Ave N Shift Values>> N :: 121.86(3.9) 2.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.6 A 0.33 I 0.03 C 0.02 HN Overlap>> 1.V98 1.T36 1.V98 1.T36 C Shift Assignments>> C :: 180.622(D) CA :: 55.156(D) CB :: 17.703(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.431 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.460(D) Ave N Shift Values>> N :: 123.23(3.54) 2.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> L 0.27 R 0.22 C 0.14 K 0.12 Q 0.08 H 0.04 W 0.04 I 0.02 E 0.02 C Shift Assignments>> C :: 177.506 CA :: 56.106(D) CB :: 26.312 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 :: 7.295 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 :: 115.082(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.T50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.020(D) CA :: 64.210 CB :: 69.706 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) N Shift Assignments>> N :: 106.791 Ave N Shift Values>> N :: 115.42(4.75) 2.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> Y 0.19 F 0.19 N 0.17 D 0.17 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 176.525(D) CA :: 55.585(D) CB :: 39.164 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 :: 6.983 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 :: 118.132(D) Ave N Shift Values>> N :: 121.86(3.9) 2.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> A 0.71 M 0.26 C 0.01 C Shift Assignments>> C :: 177.426(D) CA :: 52.996(D) CB :: 18.012 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.990 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.837(D) Ave N Shift Values>> N :: 123.23(3.54) 2.Y53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> K 0.25 F 0.18 L 0.15 Y 0.13 R 0.08 C 0.08 D 0.06 I 0.02 C Shift Assignments>> C :: 174.712(D) CA :: 57.878(D) CB :: 41.862 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 :: 7.471 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 :: 113.127(D) Ave N Shift Values>> N :: 120.52(4.2) 2.I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> E 0.1 K 0.09 W 0.09 R 0.08 C 0.08 F 0.08 H 0.07 Q 0.07 Y 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> CA :: 57.264(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 :: 7.719 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 :: 119.243(D) Ave N Shift Values>> N :: 121.46(4.28) 2.P55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.46 P 0.3 C 0.17 W 0.01 K 0.01 C Shift Assignments>> C :: 177.319(D) CA :: 62.998(D) CB :: 32.916 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) 2.T56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.504(D) CA :: 66.632(D) CB :: 68.436 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 :: 9.084 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 :: 123.998(D) Ave N Shift Values>> N :: 115.42(4.75) 2.G57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.82 C 0.08 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 175.402 CA :: 47.329(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.095 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.454(D) Ave N Shift Values>> N :: 109.67(3.87) 2.I58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.14 Y 0.04 F 0.03 C Shift Assignments>> C :: 177.331(D) CA :: 64.673(D) CB :: 38.276 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 :: 6.534 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 :: 118.440 Ave N Shift Values>> N :: 121.46(4.28) 2.A59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> A 0.53 M 0.22 C 0.09 L 0.06 V 0.04 I 0.01 T 0.01 C Shift Assignments>> C :: 178.611(D) CA :: 55.463(D) CB :: 19.937(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.024 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.076(D) Ave N Shift Values>> N :: 123.23(3.54) 2.Y60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.49 C 0.18 Y 0.16 F 0.14 C Shift Assignments>> C :: 174.998 CA :: 61.685(D) CB :: 38.419 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 :: 8.908 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 :: 118.135(D) Ave N Shift Values>> N :: 120.52(4.2) 2.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.51 A 0.41 I 0.03 C 0.02 C Shift Assignments>> C :: 179.425 CA :: 55.172(D) CB :: 18.276 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.605(D) Ave N Shift Values>> N :: 123.23(3.54) 2.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.81 C 0.13 Y 0.01 F 0.01 V 0.01 HN Overlap>> 2.S107 2.S107 C Shift Assignments>> C :: 177.528(D) CA :: 66.251(D) CB :: 38.190 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 :: 8.514 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 :: 117.887(D) Ave N Shift Values>> N :: 121.46(4.28) 2.W63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.34 C 0.22 R 0.12 W 0.07 P 0.05 Q 0.04 L 0.03 E 0.03 H 0.03 K 0.02 C Shift Assignments>> C :: 178.227(D) CA :: 60.334(D) CB :: 26.959 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 :: 8.963 HE1 :: 8.676 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 :: 121.803(D) NE1 :: 124.872 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.S64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.140(D) CA :: 60.424(D) CB :: 63.385 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.208 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 :: 111.963(D) Ave N Shift Values>> N :: 116.28(3.52) 2.G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.638(D) CA :: 46.592(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.586 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.680(D) Ave N Shift Values>> N :: 109.67(3.87) 2.V66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.38 I 0.31 C 0.16 P 0.12 W 0.01 C Shift Assignments>> C :: 177.961 CA :: 66.257(D) CB :: 29.878 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 :: 9.128 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 :: 121.547(D) Ave N Shift Values>> N :: 121.14(4.54) 2.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.09 P 0.04 L 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 174.351(D) CA :: 47.582(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.322 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.610 Ave N Shift Values>> N :: 109.67(3.87) 2.I68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> F 0.25 I 0.23 Y 0.18 C 0.15 K 0.1 R 0.02 L 0.02 C Shift Assignments>> C :: 178.045 CA :: 61.255(D) CB :: 41.699 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 :: 6.802 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 :: 118.749(D) Ave N Shift Values>> N :: 121.46(4.28) 2.V69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> V 0.37 T 0.22 I 0.15 S 0.13 P 0.07 C 0.03 C Shift Assignments>> C :: 177.095 CA :: 66.710(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 :: 7.360 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 :: 123.658(D) Ave N Shift Values>> N :: 121.14(4.54) 2.L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> W 0.1 F 0.1 Y 0.1 C 0.09 E 0.09 K 0.07 S 0.07 R 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 178.640 CA :: 57.800(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 :: 7.962 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 :: 117.118(D) Ave N Shift Values>> N :: 121.86(3.9) 2.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 178.254 CA :: 64.440 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 :: 8.062 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 :: 118.772 Ave N Shift Values>> N :: 121.46(4.28) 2.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 T 0.23 I 0.19 P 0.17 C 0.05 F 0.02 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> CA :: 62.646 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.954 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 :: 118.719 Ave N Shift Values>> N :: 116.28(3.52) 2.L73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.23 F 0.21 Y 0.16 L 0.12 C 0.09 R 0.05 D 0.05 I 0.04 C Shift Assignments>> C :: 179.460(D) CA :: 58.330 CB :: 41.665 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) 2.L74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> K 0.25 F 0.17 L 0.15 Y 0.12 R 0.11 C 0.08 D 0.06 I 0.02 HN Overlap>> 1.T56 2.M91 1.T56 2.M91 C Shift Assignments>> C :: 179.300(D) CA :: 57.943(D) CB :: 42.041 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 :: 8.517 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 :: 120.037(D) Ave N Shift Values>> N :: 121.86(3.9) 2.S75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> T 0.25 V 0.23 I 0.21 P 0.11 C 0.06 F 0.02 Y 0.02 S 0.02 W 0.02 C Shift Assignments>> C :: 176.775(D) CA :: 62.174(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.456 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 :: 117.233(D) Ave N Shift Values>> N :: 116.28(3.52) 2.W76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.1 W 0.09 E 0.06 K 0.05 I 0.05 R 0.05 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.986 CA :: 59.049(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 :: 7.863 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 :: 124.441(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 173.645 CA :: 46.719 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.701 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.575 Ave N Shift Values>> N :: 109.67(3.87) 2.F78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 176.132(D) CA :: 58.177 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 :: 8.150 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 :: 113.452 Ave N Shift Values>> N :: 120.45(4.18) 2.F79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> Y 0.27 F 0.25 C 0.15 D 0.1 N 0.07 L 0.06 I 0.05 E 0.01 C Shift Assignments>> C :: 176.931 CA :: 56.737(D) CB :: 39.117 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 :: 7.170 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 :: 114.385(D) Ave N Shift Values>> N :: 120.45(4.18) 2.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.682 CA :: 46.433 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.917 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.127 Ave N Shift Values>> N :: 109.67(3.87) 2.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.13 R 0.12 H 0.12 C 0.12 W 0.1 L 0.1 E 0.07 M 0.02 I 0.01 HN Overlap>> 1.I11 1.I5 1.I11 1.I5 C Shift Assignments>> C :: 175.003 CA :: 54.945 CB :: 28.247 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 :: 7.696 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 :: 120.588 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.14 Q 0.13 W 0.13 E 0.12 C 0.11 K 0.08 M 0.07 C Shift Assignments>> C :: 176.607 CA :: 55.727 CB :: 30.149 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 :: 8.234 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 :: 123.992 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.27 K 0.14 R 0.06 F 0.06 N 0.06 C 0.04 Y 0.04 C Shift Assignments>> C :: 174.700(D) CA :: 53.793 CB :: 41.952 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 :: 8.116 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 :: 124.408 Ave N Shift Values>> N :: 121.86(3.9) 2.D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> D 0.38 L 0.21 N 0.17 C 0.06 K 0.05 F 0.03 R 0.02 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.292(D) CA :: 51.018(D) CB :: 41.775(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 :: 7.415 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 :: 120.773(D) Ave N Shift Values>> N :: 120.65(3.86) 2.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> Y 0.27 I 0.22 F 0.21 C 0.2 E 0.04 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> C :: 176.278 CA :: 59.242(D) CB :: 38.225(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 :: 8.694 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 :: 118.932(D) Ave N Shift Values>> N :: 121.86(3.9) 2.P86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.52 P 0.22 C 0.13 I 0.1 C Shift Assignments>> C :: 177.537(D) CA :: 66.273(D) CB :: 30.688(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) N Shift Assignments>> N :: 132.990 Ave N Shift Values>> N :: 134.16(6.62) 2.A87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.68 A 0.24 I 0.04 C 0.02 HN Overlap>> 2.F23 2.F23 C Shift Assignments>> C :: 179.362(D) CA :: 55.395(D) CB :: 17.330(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.850(D) Ave N Shift Values>> N :: 123.23(3.54) 2.I88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.74 C 0.15 Y 0.04 F 0.04 C Shift Assignments>> C :: 178.353(D) CA :: 64.505(D) CB :: 38.236 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 :: 7.877 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 :: 117.988(D) Ave N Shift Values>> N :: 121.46(4.28) 2.I89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.71 C 0.16 Y 0.05 F 0.04 V 0.01 C Shift Assignments>> C :: 178.467(D) CA :: 64.268(D) CB :: 37.867 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 :: 8.639 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 :: 119.737(D) Ave N Shift Values>> N :: 121.46(4.28) 2.G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.73 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 HN Overlap>> 1.G90 1.G90 C Shift Assignments>> C :: 175.574(D) CA :: 47.646(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.804 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.637(D) Ave N Shift Values>> N :: 109.67(3.87) 2.M91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> C 0.13 S 0.11 I 0.11 Y 0.09 F 0.09 T 0.07 W 0.07 V 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 HN Overlap>> 1.T56 1.T56 2.L74 2.L74 C Shift Assignments>> CA :: 59.936(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 :: 8.473 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 :: 120.031(D) Ave N Shift Values>> N :: 120.09(3.57) 2.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> C 0.27 V 0.19 K 0.13 W 0.08 M 0.07 R 0.06 Q 0.06 H 0.05 E 0.04 P 0.01 C Shift Assignments>> C :: 178.557 CA :: 59.795 CB :: 32.795 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) N Shift Assignments>> N :: 119.141 Ave N Shift Values>> N :: 120.09(3.57) 2.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> F 0.28 Y 0.23 C 0.11 K 0.11 L 0.09 I 0.08 D 0.05 C Shift Assignments>> C :: 178.619 CA :: 58.530 CB :: 40.901 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) N Shift Assignments>> N :: 119.380 Ave N Shift Values>> N :: 121.86(3.9) 2.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> I 0.8 C 0.13 Y 0.02 F 0.02 C Shift Assignments>> C :: 177.752 CA :: 65.708 CB :: 38.382 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) N Shift Assignments>> N :: 118.118 Ave N Shift Values>> N :: 121.46(4.28) 2.C95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.48 I 0.41 C 0.08 C Shift Assignments>> C :: 176.639(D) CA :: 65.355(D) CB :: 27.016 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) N Shift Assignments>> N :: 116.533 Ave N Shift Values>> N :: 120.17(4.64) 2.A96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> M 0.51 A 0.42 I 0.03 C 0.02 C Shift Assignments>> C :: 178.887 CA :: 54.962(D) CB :: 18.107 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.300(D) Ave N Shift Values>> N :: 123.23(3.54) 2.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.72 A 0.13 N 0.05 D 0.01 C 0.01 G 0.01 C Shift Assignments>> C :: 175.198 CA :: 49.167 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) N Shift Assignments>> N :: 105.201 Ave N Shift Values>> N :: 109.67(3.87) 2.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> V 0.74 P 0.13 C 0.09 I 0.02 C Shift Assignments>> C :: 177.094 CA :: 67.220 CB :: 31.661 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) N Shift Assignments>> N :: 119.975 Ave N Shift Values>> N :: 121.14(4.54) 2.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> CA :: 58.354 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) N Shift Assignments>> N :: 117.083 Ave N Shift Values>> N :: 121.86(3.9) 2.I100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.38 C 0.31 V 0.09 Y 0.08 E 0.05 F 0.04 C Shift Assignments>> C :: 178.404(D) CA :: 62.123 CB :: 36.320 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) 2.I101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> I 0.68 C 0.19 V 0.08 Y 0.01 F 0.01 C Shift Assignments>> C :: 177.645(D) CA :: 65.553(D) CB :: 37.011 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 :: 8.411 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 :: 119.612(D) Ave N Shift Values>> N :: 121.46(4.28) 2.N102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> F 0.25 Y 0.24 D 0.14 C 0.12 L 0.1 N 0.06 I 0.04 K 0.01 C Shift Assignments>> C :: 176.673 CA :: 56.624(D) CB :: 39.784(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 :: 8.141 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 :: 115.656(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.25 K 0.14 D 0.09 F 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 178.349(D) CA :: 56.374(D) CB :: 42.811 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 :: 8.442 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 :: 114.829 Ave N Shift Values>> N :: 121.86(3.9) 2.L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.67 L 0.2 C 0.04 R 0.03 D 0.02 F 0.01 C Shift Assignments>> C :: 177.109(D) CA :: 54.707(D) CB :: 45.198 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 :: 7.794 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 :: 114.380(D) Ave N Shift Values>> N :: 121.86(3.9) 2.S105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.429(D) CA :: 58.165(D) CB :: 64.063(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.515 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) 2.R106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> H 0.15 M 0.15 R 0.15 C 0.13 W 0.1 K 0.09 Q 0.09 E 0.09 C Shift Assignments>> C :: 177.089 CA :: 54.861(D) CB :: 31.197 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 :: 10.057 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 :: 129.653(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) 2.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.I62 2.I62 C Shift Assignments>> C :: 173.527 CA :: 59.784 CB :: 63.476 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.465 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 :: 117.871 Ave N Shift Values>> N :: 116.28(3.52) 2.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 58.312 CB :: 69.465 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 :: 7.620 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 :: 114.695 Ave N Shift Values>> N :: 115.42(4.75) 2.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.37 V 0.3 C 0.17 I 0.06 W 0.04 R 0.01 C Shift Assignments>> C :: 175.774 CA :: 63.090 CB :: 30.984 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) 2.H110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.14 Q 0.14 W 0.13 R 0.13 C 0.11 K 0.1 M 0.05 I 0.01 HN Overlap>> 1.H110 1.H110 C Shift Assignments>> CA :: 56.650 CB :: 29.836 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 :: 7.852 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 :: 123.880 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 3.P4P1 Overall Status: Residue type P4P not supported. ########################################################################### Overall Results: #Consistent: 41 #Clerical: 178 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 219 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 220 #Suspicious: 0 C Shift Results: #Consistent: 246 #Duplicate: 327 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 191 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 58 #Duplicate: 152 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Y4 C = 178.117(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.7215e-01 1.Y4 CA = 61.540(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.7428e-01 1.Y4 N = 116.299(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.1490e-01 1.I5 CA = 64.197(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.3440e-01 1.I5 N = 120.590(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.3892e-01 1.Y6 CA = 61.120(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.3356e-01 1.Y6 N = 118.820(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.8565e-01 1.L7 C = 177.907(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.4327e-01 1.L7 CA = 57.306(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.2862e-01 1.L7 N = 118.905(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4864e-01 1.G8 C = 174.990(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.5135e-01 1.G8 CA = 47.179(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.7228e-01 1.G8 N = 105.241(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.5244e-01 1.G9 C = 173.520(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5231e-01 1.G9 CA = 47.179(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.7228e-01 1.G9 N = 107.580(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.8916e-01 1.A10 C = 180.155(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.5688e-01 1.A10 CA = 55.278(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8023e-01 1.A10 N = 125.662(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.9208e-01 1.I11 C = 177.176(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.8980e-01 1.I11 CA = 64.162(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.4098e-01 1.I11 N = 120.576(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.3637e-01 1.L12 C = 177.825(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.7323e-01 1.L12 CA = 57.468(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.8561e-01 1.L12 N = 118.098(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3474e-01 1.A13 C = 179.066(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.3359e-01 1.A13 CA = 55.210(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.9581e-01 1.A13 N = 118.240(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5866e-01 1.E14 CA = 60.912(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5676e-02 1.E14 N = 119.335(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0126e-01 1.V15 C = 180.324(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.3294e-02 1.V15 CA = 65.818(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.4457e-01 1.V15 N = 118.009(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.9042e-01 1.I16 C = 177.814(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.0635e-01 1.I16 CA = 65.017(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.0363e-01 1.I16 N = 122.561(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.9699e-01 1.G17 CA = 48.034(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.5179e-02 1.G17 N = 111.154(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0138e-01 1.T18 C = 175.824(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.6567e-01 1.T19 C = 177.395(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.0477e-01 1.T19 CA = 67.663(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.5593e-02 1.T19 N = 120.637(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.7207e-01 1.L20 C = 178.611(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.1297e-01 1.L20 CA = 57.951(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7379e-01 1.L20 N = 122.757(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1809e-01 1.M21 C = 181.481(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.1201e-02 1.M21 CA = 58.831(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.2240e-01 1.M21 N = 121.289(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.3698e-01 1.K22 C = 178.593(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.2882e-01 1.K22 CA = 59.680(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1464e-01 1.K22 N = 125.267(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.6332e-01 1.F23 C = 176.294(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.6052e-01 1.F23 CA = 60.223(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.0436e-01 1.F23 N = 119.013(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.3101e-01 1.S24 C = 173.458(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.9931e-01 1.S24 CA = 60.337(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3471e-01 1.S24 N = 113.575(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.4221e-01 1.E25 C = 177.830(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.2250e-01 1.E25 CA = 55.939(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0876e-01 1.E25 CB = 25.756(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.3389e-02 1.E25 N = 121.181(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8326e-01 1.G26 C = 174.779(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2873e-01 1.G26 CA = 46.132(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.5950e-01 1.G26 N = 111.929(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.5941e-01 1.F27 CA = 59.654(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.4024e-01 1.F27 N = 112.838(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.8599e-02 1.T28 C = 175.152(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.2804e-01 1.T28 CA = 62.101(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.6335e-01 1.T28 N = 102.611(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.0045e-03 1.R29 C = 178.081(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.1042e-01 1.R29 CA = 54.088(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.4563e-01 1.R29 CB = 30.326(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.3806e-01 1.R29 N = 119.999(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.2769e-01 1.L30 C = 177.369(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.4820e-01 1.L30 CA = 59.915(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3755e-02 1.L30 CB = 41.177(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.4674e-01 1.L30 N = 131.124(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7531e-02 1.W31 CA = 61.734(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.1432e-01 1.W31 N = 119.101(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.3724e-01 1.P32 C = 178.620(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.1556e-01 1.P32 CA = 65.373(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.7892e-01 1.S33 C = 175.383(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.5733e-01 1.S33 CA = 63.805(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4029e-02 1.S33 N = 114.112(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3795e-01 1.V34 C = 178.190(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.7617e-01 1.V34 CA = 66.578(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5290e-01 1.V34 N = 121.960(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5667e-01 1.G35 C = 174.796(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2233e-01 1.G35 CA = 48.011(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.7053e-02 1.G35 N = 106.069(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.5212e-01 1.T36 C = 175.178(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.1698e-01 1.T36 CA = 68.693(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.2446e-02 1.T36 N = 121.358(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.1126e-01 1.I37 CA = 65.678(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2904e-01 1.I37 N = 119.418(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3329e-01 1.I38 C = 176.241(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.3863e-01 1.I38 CA = 65.726(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2458e-01 1.I38 N = 119.751(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8967e-01 1.C39 C = 177.559(D), Expected = 174.95, Std = 2.0700, ChiSquare = 2.0753e-01 1.C39 CA = 65.332(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.4711e-02 1.C39 N = 117.470(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.6064e-01 1.Y40 CA = 59.126(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.9151e-01 1.Y40 N = 119.815(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.6670e-01 1.C41 CA = 65.420(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.2506e-02 1.A42 C = 178.536(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.0862e-01 1.A42 CA = 55.162(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0715e-01 1.A42 N = 120.678(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7097e-01 1.S43 C = 177.614(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.1737e-02 1.S43 CA = 62.874(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.4775e-02 1.S43 N = 111.734(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.9654e-01 1.F44 C = 175.477(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.7715e-01 1.F44 CA = 62.666(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4353e-02 1.F44 N = 116.301(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.2091e-01 1.L47 C = 179.234(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.5707e-01 1.L47 CA = 57.611(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4992e-01 1.L47 N = 121.404(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0692e-01 1.A48 C = 179.091(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.2590e-01 1.A48 CA = 54.732(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.2137e-01 1.A48 N = 122.681(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.7675e-01 1.Q49 CA = 56.050(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.0801e-01 1.Q49 N = 113.430(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.2742e-02 1.T50 C = 176.796(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.9991e-01 1.T50 CA = 64.606(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.5693e-01 1.L51 C = 177.366(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.4939e-01 1.L51 CA = 56.676(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.2005e-01 1.L51 N = 121.716(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7055e-01 1.A52 C = 177.441(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.8836e-01 1.A52 CA = 53.002(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.4444e-01 1.A52 N = 118.584(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.8938e-01 1.Y53 C = 175.198(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.1915e-01 1.Y53 CA = 58.266(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.5679e-01 1.Y53 N = 113.951(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.1781e-01 1.I54 CA = 57.584(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3304e-01 1.I54 N = 119.749(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8933e-01 1.T56 C = 176.565(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.4991e-01 1.T56 CA = 66.516(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7179e-02 1.G57 C = 176.511(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.6008e-01 1.G57 CA = 46.969(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.2697e-01 1.G57 N = 109.321(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2814e-01 1.I58 C = 177.807(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.0807e-01 1.I58 CA = 64.279(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1930e-01 1.I58 CB = 36.422(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.7436e-01 1.I58 N = 121.694(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5640e-01 1.A59 C = 179.324(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.5708e-01 1.A59 CA = 55.608(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1259e-01 1.A59 N = 121.371(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.9948e-01 1.Y60 C = 178.722(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.5049e-02 1.Y60 CA = 61.232(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.1651e-01 1.Y60 N = 117.654(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.9500e-01 1.A61 C = 178.842(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.0490e-01 1.A61 CA = 55.337(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6717e-01 1.A61 N = 123.266(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9189e-01 1.I62 C = 176.753(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.3813e-01 1.I62 CA = 65.168(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.8431e-01 1.I62 N = 116.970(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9415e-01 1.W63 C = 179.442(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.8385e-02 1.W63 CA = 59.543(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.6549e-01 1.W63 N = 120.839(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.4055e-01 1.W63 NE1 = 136.449(S), Expected = 129.32, Std = 2.1100, ChiSquare = 7.2837e-04 1.S64 C = 175.370(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.6280e-01 1.S64 CA = 63.223(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.9603e-02 1.S64 N = 111.558(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7977e-01 1.G65 C = 173.413(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.0794e-01 1.G65 CA = 47.653(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5677e-02 1.G65 N = 105.976(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3982e-01 1.V66 C = 178.098(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.9216e-01 1.V66 CA = 65.934(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.2851e-01 1.V66 N = 118.165(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1228e-01 1.G67 C = 175.725(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.2379e-01 1.G67 CA = 47.073(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.9851e-01 1.G67 N = 109.455(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5570e-01 1.I68 C = 178.659(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.4346e-01 1.I68 CA = 65.861(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.1270e-01 1.I68 N = 119.729(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8589e-01 1.V69 CA = 66.681(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4282e-01 1.V69 N = 119.826(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.7225e-01 1.L70 C = 179.190(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.6652e-01 1.L70 CA = 58.040(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5589e-01 1.I71 C = 179.578(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.2178e-02 1.I71 CA = 62.711(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.8120e-01 1.I71 N = 119.192(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.9618e-01 1.S72 C = 176.967(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.7240e-01 1.S72 CA = 63.124(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.3376e-02 1.S72 N = 120.962(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.8348e-01 1.L73 CA = 58.199(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2597e-01 1.L73 N = 124.305(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3071e-01 1.L74 C = 178.963(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.1902e-01 1.L74 CA = 58.102(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4391e-01 1.L74 CB = 40.930(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.6292e-01 1.L74 N = 118.952(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5588e-01 1.S75 C = 177.297(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.1961e-01 1.S75 CA = 62.505(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.7474e-02 1.S75 N = 114.902(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.9544e-01 1.W76 C = 178.000(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.4962e-01 1.W76 CA = 59.767(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.1412e-01 1.W76 N = 126.160(D), Expected = 121.68, Std = 4.1800, ChiSquare = 2.8382e-01 1.G77 C = 173.744(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4657e-01 1.G77 CA = 46.940(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3540e-01 1.G77 N = 104.825(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1059e-01 1.F78 C = 176.806(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.8613e-01 1.F78 CA = 59.257(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.4697e-01 1.F78 N = 113.904(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.1734e-01 1.F79 C = 176.479(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.9461e-01 1.F79 CA = 55.200(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.6245e-01 1.F79 N = 112.304(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.1319e-02 1.G80 C = 174.861(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.9810e-01 1.G80 CA = 46.309(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.7419e-01 1.G80 N = 109.583(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8206e-01 1.Q81 C = 174.364(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.1830e-01 1.Q81 CA = 56.065(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.1345e-01 1.Q81 N = 118.934(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9058e-01 1.R82 C = 175.325(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.9301e-01 1.R82 CA = 55.052(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.5704e-01 1.R82 CB = 30.482(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.0518e-01 1.R82 N = 126.758(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.0544e-01 1.L83 C = 174.816(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.7221e-01 1.L83 CA = 53.046(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2687e-01 1.D84 C = 175.338(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.4395e-01 1.D84 CA = 50.976(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.7316e-02 1.D84 CB = 39.677(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.5773e-01 1.D84 N = 119.268(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2032e-01 1.L85 CA = 59.175(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5115e-02 1.L85 N = 118.524(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9234e-01 1.P86 C = 177.824(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.7692e-01 1.P86 CA = 66.190(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.9893e-02 1.A87 C = 178.893(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.8829e-01 1.A87 CA = 55.552(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2315e-01 1.A87 N = 117.240(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0629e-02 1.I88 CA = 64.786(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.3599e-01 1.I88 N = 117.984(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.1671e-01 1.I89 C = 178.472(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.7206e-01 1.I89 CA = 64.318(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1228e-01 1.I89 N = 119.424(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3429e-01 1.G90 C = 175.926(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.7412e-01 1.G90 CA = 47.642(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7183e-02 1.G90 N = 107.706(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1181e-01 1.M91 CA = 60.159(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.9417e-02 1.M91 N = 120.709(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.6235e-01 1.A96 C = 179.086(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.2744e-01 1.G97 CA = 48.425(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1746e-02 1.G97 N = 105.129(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4064e-01 1.V98 CA = 66.817(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3030e-01 1.V98 N = 121.371(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5942e-01 1.I100 C = 177.720(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.3008e-01 1.I101 C = 176.822(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.1268e-01 1.I101 CA = 65.693(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2763e-01 1.I101 N = 117.780(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8989e-01 1.N102 C = 176.098(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.4367e-01 1.N102 CA = 55.837(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.2178e-01 1.N102 N = 114.035(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.2450e-01 1.L103 CA = 55.620(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.0000e+00 1.L103 N = 114.781(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9504e-02 1.L104 C = 176.682(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.7638e-01 1.L104 CA = 54.455(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.8441e-01 1.L104 N = 115.152(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5432e-02 1.S105 C = 175.482(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.1626e-01 1.S105 CA = 58.746(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.8998e-01 1.S105 CB = 63.534(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.5736e-01 1.S105 N = 112.481(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.8047e-01 1.R106 C = 176.642(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.0901e-01 1.R106 CA = 55.543(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9530e-01 1.R106 CB = 29.708(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.8777e-01 1.R106 N = 127.288(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.7893e-02 2.L7 C = 178.860(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4494e-01 2.G8 C = 175.762(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.1423e-01 2.G8 CA = 47.136(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.8259e-01 2.G8 N = 106.793(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.5723e-01 2.G9 C = 174.423(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.6864e-01 2.G9 CA = 47.412(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2385e-01 2.G9 N = 109.877(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5734e-01 2.A10 C = 181.691(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.3606e-02 2.A10 CA = 55.219(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.9372e-01 2.A10 N = 125.161(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.8542e-01 2.I11 C = 177.225(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.7390e-01 2.I11 CA = 64.467(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8640e-01 2.I11 N = 120.514(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2507e-01 2.L12 C = 178.330(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.9855e-01 2.L12 CA = 58.136(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3751e-01 2.L12 N = 121.131(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5172e-01 2.A13 C = 179.293(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.6594e-01 2.A13 CA = 55.389(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5602e-01 2.A13 N = 119.286(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.6523e-01 2.Q14 C = 177.691(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.7882e-01 2.Q14 CA = 59.674(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.4693e-01 2.Q14 N = 117.096(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.3768e-01 2.V15 C = 179.057(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.0459e-02 2.V15 CA = 66.227(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9133e-01 2.V15 N = 121.233(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8366e-01 2.I16 CA = 65.075(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9604e-01 2.I16 N = 122.431(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2053e-01 2.G17 C = 174.381(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8577e-01 2.G17 CA = 47.742(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.4249e-02 2.G17 N = 108.007(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6740e-01 2.T18 CA = 65.988(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.4572e-01 2.T18 N = 120.043(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.3042e-01 2.T19 C = 176.193(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.4763e-01 2.T19 CA = 67.622(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.7005e-02 2.L20 C = 178.871(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4211e-01 2.L20 CA = 57.894(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8570e-01 2.L20 N = 120.823(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.9032e-01 2.M21 C = 181.157(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.7250e-02 2.M21 CA = 59.033(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.8994e-01 2.M21 N = 121.097(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.7789e-01 2.K22 CA = 58.502(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8053e-01 2.K22 N = 123.073(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.9154e-01 2.F23 C = 175.583(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.3472e-01 2.F23 CA = 58.552(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.5428e-01 2.F23 CB = 37.834(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.0227e-01 2.F23 N = 117.911(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.4357e-01 2.S24 C = 173.757(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.1585e-01 2.S24 CA = 60.075(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.1273e-01 2.S24 N = 115.200(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5898e-01 2.E25 C = 178.094(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.3021e-01 2.E25 CA = 55.887(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9294e-01 2.E25 CB = 26.238(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.8306e-02 2.E25 N = 122.323(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3479e-01 2.G26 C = 174.715(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.5309e-01 2.G26 CA = 46.892(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.4984e-01 2.G26 N = 113.246(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.5547e-01 2.F27 CA = 58.974(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.2795e-01 2.F27 N = 114.105(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.2903e-01 2.T28 C = 175.461(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.0077e-01 2.T28 CA = 61.930(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.1085e-01 2.T28 N = 102.865(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2137e-03 2.R29 C = 177.848(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.7871e-01 2.R29 CA = 54.228(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7114e-01 2.R29 CB = 29.975(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.9198e-01 2.R29 N = 121.015(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.5341e-01 2.L30 C = 177.529(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.8545e-01 2.L30 CA = 59.628(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.9878e-02 2.L30 CB = 41.503(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6774e-01 2.L30 N = 131.145(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7277e-02 2.W31 CA = 61.723(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.1530e-01 2.W31 CB = 26.255(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.1740e-02 2.W31 N = 118.948(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.1338e-01 2.P32 C = 179.060(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.2607e-01 2.P32 CA = 65.362(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.8127e-01 2.S33 C = 175.247(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.1546e-01 2.S33 CA = 63.445(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.2453e-02 2.S33 N = 115.650(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.5796e-01 2.V34 C = 178.497(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.2997e-01 2.V34 CA = 66.476(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6341e-01 2.V34 CB = 30.707(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.5841e-01 2.V34 N = 122.140(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2567e-01 2.G35 C = 174.871(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.9442e-01 2.G35 CA = 47.786(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9078e-02 2.G35 N = 105.934(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3436e-01 2.T36 CA = 68.385(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.7298e-02 2.T36 N = 121.611(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.9245e-01 2.I37 CA = 65.744(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2294e-01 2.I37 N = 118.815(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.3658e-01 2.C39 CA = 65.321(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.4996e-02 2.Y40 CA = 58.663(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.3183e-01 2.Y40 N = 118.949(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.0837e-01 2.A42 C = 178.773(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.2769e-01 2.A42 CA = 55.191(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0027e-01 2.S43 C = 177.557(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.7718e-02 2.S43 CA = 62.339(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.0411e-02 2.S43 N = 112.697(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.0873e-01 2.F44 CA = 62.974(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.6874e-02 2.F44 N = 121.652(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.7368e-01 2.L47 C = 179.208(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.6263e-01 2.L47 CA = 57.527(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7062e-01 2.A48 C = 180.622(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7604e-01 2.A48 CA = 55.156(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0859e-01 2.A48 CB = 17.703(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7510e-01 2.A48 N = 121.460(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1707e-01 2.Q49 CA = 56.106(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2835e-01 2.Q49 N = 115.082(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.8169e-01 2.T50 C = 177.020(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.5881e-01 2.L51 C = 176.525(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.1433e-01 2.L51 CA = 55.585(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.8689e-01 2.L51 N = 118.132(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3912e-01 2.A52 C = 177.426(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.8280e-01 2.A52 CA = 52.996(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.4202e-01 2.A52 N = 119.837(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.3782e-01 2.Y53 C = 174.712(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.2955e-01 2.Y53 CA = 57.878(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.2003e-01 2.Y53 N = 113.127(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.8368e-02 2.I54 CA = 57.264(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.0488e-01 2.I54 N = 119.243(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.0446e-01 2.P55 C = 177.319(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.0631e-01 2.P55 CA = 62.998(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.2710e-01 2.T56 C = 176.504(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.6446e-01 2.T56 CA = 66.632(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8479e-02 2.T56 N = 123.998(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.0935e-02 2.G57 CA = 47.329(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3971e-01 2.G57 N = 107.454(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6691e-01 2.I58 C = 177.331(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.4050e-01 2.I58 CA = 64.673(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5308e-01 2.A59 C = 178.611(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.8260e-01 2.A59 CA = 55.463(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4070e-01 2.A59 CB = 19.937(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1247e-01 2.A59 N = 122.076(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4443e-01 2.Y60 CA = 61.685(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.5668e-01 2.Y60 N = 118.135(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.7013e-01 2.A61 CA = 55.172(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0477e-01 2.A61 N = 123.605(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1564e-01 2.I62 C = 177.528(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.8214e-01 2.I62 CA = 66.251(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3324e-02 2.I62 N = 117.887(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0382e-01 2.W63 C = 178.227(D), Expected = 176.12, Std = 2.0100, ChiSquare = 2.9452e-01 2.W63 CA = 60.334(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.0000e-01 2.W63 N = 121.803(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.7653e-01 2.S64 C = 178.140(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.0706e-02 2.S64 CA = 60.424(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.1040e-01 2.S64 N = 111.963(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2004e-01 2.G65 C = 174.638(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.8290e-01 2.G65 CA = 46.592(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.5400e-01 2.G65 N = 109.680(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9794e-01 2.V66 CA = 66.257(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.8779e-01 2.V66 N = 121.547(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2857e-01 2.G67 C = 174.351(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.9807e-01 2.G67 CA = 47.582(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5779e-02 2.I68 CA = 61.255(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.9462e-01 2.I68 N = 118.749(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.2647e-01 2.V69 CA = 66.710(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4007e-01 2.V69 N = 123.658(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7915e-01 2.L70 CA = 57.800(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0608e-01 2.L70 N = 117.118(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2402e-01 2.L73 C = 179.460(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.1222e-01 2.L74 C = 179.300(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.4334e-01 2.L74 CA = 57.943(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7544e-01 2.L74 N = 120.037(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4019e-01 2.S75 C = 176.775(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.1024e-01 2.S75 CA = 62.174(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.5197e-02 2.S75 N = 117.233(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.8659e-01 2.W76 CA = 59.049(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.9032e-01 2.W76 N = 124.441(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.0892e-01 2.F78 C = 176.132(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.2050e-01 2.F79 CA = 56.737(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.0127e-01 2.F79 N = 114.385(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4679e-01 2.L83 C = 174.700(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.4745e-01 2.D84 C = 175.292(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.2664e-01 2.D84 CA = 51.018(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.0472e-02 2.D84 CB = 41.775(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.8063e-01 2.D84 N = 120.773(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.7458e-01 2.L85 CA = 59.242(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9043e-02 2.L85 CB = 38.225(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.9790e-02 2.L85 N = 118.932(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5279e-01 2.P86 C = 177.537(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.0223e-01 2.P86 CA = 66.273(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.2845e-02 2.P86 CB = 30.688(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.2475e-01 2.A87 C = 179.362(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.4636e-01 2.A87 CA = 55.395(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5475e-01 2.A87 CB = 17.330(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.5860e-01 2.A87 N = 117.850(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.2857e-01 2.I88 C = 178.353(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.9235e-01 2.I88 CA = 64.505(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8004e-01 2.I88 N = 117.988(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.1724e-01 2.I89 C = 178.467(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.7288e-01 2.I89 CA = 64.268(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.2130e-01 2.I89 N = 119.737(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8726e-01 2.G90 C = 175.574(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.6473e-01 2.G90 CA = 47.646(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6633e-02 2.G90 N = 107.637(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.9936e-01 2.M91 CA = 59.936(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.6218e-02 2.M91 N = 120.031(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.8681e-01 2.C95 C = 176.639(D), Expected = 174.95, Std = 2.0700, ChiSquare = 4.1453e-01 2.C95 CA = 65.355(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.4123e-02 2.A96 CA = 54.962(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5747e-01 2.A96 N = 120.300(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.0785e-01 2.I100 C = 178.404(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.8345e-01 2.I101 C = 177.645(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.4984e-01 2.I101 CA = 65.553(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4122e-01 2.I101 N = 119.612(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.6590e-01 2.N102 CA = 56.624(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.0092e-01 2.N102 CB = 39.784(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.1741e-01 2.N102 N = 115.656(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.1656e-01 2.L103 C = 178.349(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.9248e-01 2.L103 CA = 56.374(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.2335e-01 2.L104 C = 177.109(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5208e-01 2.L104 CA = 54.707(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.6819e-01 2.L104 N = 114.380(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5118e-02 2.S105 C = 176.429(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.9292e-01 2.S105 CA = 58.165(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.8861e-01 2.S105 CB = 64.063(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.5896e-01 2.S105 N = 112.080(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.3280e-01 2.R106 CA = 54.861(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.0857e-01 2.R106 N = 129.653(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.6141e-02