Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.55 P 0.34 C 0.09 C Shift Assignments>> C :: 177.759 CA :: 65.437 CB :: 32.299 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.L6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.2 L 0.19 F 0.17 Y 0.14 K 0.13 C 0.07 N 0.04 I 0.01 R 0.01 C Shift Assignments>> C :: 177.07 CA :: 56.117 CB :: 40.988 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 :: 8.112(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.104(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.775 CA :: 61.723 CB :: 63.699 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.898(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.066(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.21 F 0.09 Y 0.09 C 0.09 L 0.07 HN Overlap>> 1.K46 1.K46 C Shift Assignments>> C :: 173.519 CA :: 53.845 CB :: 39.129 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 :: 7.861(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.674(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.25 F 0.09 K 0.08 D 0.06 C 0.06 Y 0.05 G 0.03 C Shift Assignments>> C :: 175.929 CA :: 56.884 CB :: 43.236 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 :: 8.036(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.897(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 Q 0.16 E 0.15 C 0.15 H 0.13 R 0.11 I 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 174.279 CA :: 57.533 CB :: 28.934 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 :: 9.605(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 129.089(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 K 0.18 C 0.17 R 0.14 H 0.12 E 0.08 Q 0.07 V 0.02 C Shift Assignments>> C :: 173.294 CA :: 56.671 CB :: 32.195 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.271(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.379(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.24 C 0.23 Y 0.17 F 0.11 M 0.06 N 0.06 I 0.04 K 0.02 D 0.01 C Shift Assignments>> CA :: 56.497 CB :: 37.063 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.267(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.291(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 P 0.42 C 0.1 I 0.01 C Shift Assignments>> C :: 175.495 CA :: 64.737 CB :: 32.124 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 :: 9.036(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.397(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate 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 :: 176.714 CA :: 61.137 CB :: 37.488 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 :: 8.893(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.072(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.142 CA :: 58.967 CB :: 73.637 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 :: 8.531(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.218(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 E 0.15 K 0.14 Q 0.12 H 0.11 I 0.1 R 0.1 M 0.02 V 0.01 C Shift Assignments>> C :: 175.636 CA :: 59.105 CB :: 29.194 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 :: 9.006(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.573(D) Ave N Shift Values>> N :: 120.67(3.48) 1.C17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 V 0.18 I 0.1 E 0.08 R 0.08 P 0.07 H 0.06 Q 0.03 K 0.03 M 0.02 HN Overlap>> 1.S112 1.S112 C Shift Assignments>> C :: 172.734 CA :: 61.003 CB :: 30.561 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.786(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.494(D) Ave N Shift Values>> N :: 120.17(4.64) 1.V18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 C 0.26 P 0.1 I 0.05 K 0.01 C Shift Assignments>> C :: 174.632 CA :: 62.937 CB :: 34.118 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 :: 7.472(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.166(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.883 CA :: 62.639 CB :: 72.461 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 :: 8.495(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 127.103(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 K 0.21 Y 0.18 C 0.1 L 0.1 I 0.06 R 0.04 D 0.03 C Shift Assignments>> C :: 172.965 CA :: 58.786 CB :: 41.592 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 :: 9.173(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.72(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 I 0.26 E 0.11 Y 0.09 V 0.08 F 0.05 M 0.01 K 0.01 C Shift Assignments>> C :: 172.953 CA :: 61.083 CB :: 36.115 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 :: 9.5(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.096(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.22 N 0.14 K 0.08 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 175.244 CA :: 53.025 CB :: 41.373 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 :: 8.383(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.582(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 168.552 CA :: 45.716 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.697(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.489(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.35 L 0.25 D 0.14 R 0.13 C 0.04 F 0.01 N 0.01 K 0.01 C Shift Assignments>> C :: 178.395 CA :: 51.604 CB :: 43.577 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 :: 7.745(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.229(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.58 A 0.22 I 0.1 C 0.05 V 0.02 C Shift Assignments>> C :: 177.774 CA :: 56.441 CB :: 18.587 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 11.122(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.597 Ave N Shift Values>> N :: 123.23(3.54) 1.I26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.78 C 0.15 V 0.03 Y 0.01 F 0.01 C Shift Assignments>> C :: 178.308 CA :: 66.184 CB :: 37.737 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 :: 8.361(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.724(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 K 0.16 Q 0.14 E 0.13 H 0.11 I 0.11 R 0.08 L 0.02 M 0.01 HN Overlap>> 1.A131 1.A131 C Shift Assignments>> C :: 178.857 CA :: 58.622 CB :: 28.588 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 :: 7.248(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.082(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.64 P 0.19 C 0.1 I 0.04 C Shift Assignments>> C :: 178.006 CA :: 66.726 CB :: 31.23 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 :: 8.018(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.833(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.17 I 0.11 C 0.03 V 0.01 HN Overlap>> 1.Y163 1.Y163 C Shift Assignments>> C :: 179.493 CA :: 56.445 CB :: 18.045 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.382(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.679(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 K 0.18 M 0.13 R 0.1 V 0.09 Q 0.08 H 0.08 E 0.06 C Shift Assignments>> C :: 177.889 CA :: 58.546 CB :: 32.586 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 :: 7.514(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.988(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.45 P 0.24 C 0.18 R 0.02 K 0.02 E 0.01 H 0.01 Q 0.01 V 0.01 C Shift Assignments>> C :: 173.626 CA :: 62.022 CB :: 27.998 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.634(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.952(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Y32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.21 D 0.14 L 0.14 C 0.1 K 0.06 I 0.04 N 0.03 HN Overlap>> 1.D143 1.D143 C Shift Assignments>> C :: 175.944 CA :: 56.968 CB :: 40.473 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 :: 7.681(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.281(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.669 CA :: 47.422 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.855(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.303(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.16 E 0.14 R 0.13 C 0.13 M 0.04 I 0.01 L 0.01 C Shift Assignments>> C :: 175.672 CA :: 56.237 CB :: 29.377 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 :: 9.149(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.456(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 172.242 CA :: 59.901 CB :: 65.924 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.063(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.404(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.47 C 0.29 P 0.09 I 0.04 K 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 173.807 CA :: 62.223 CB :: 33.95 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 :: 7.758(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.817(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 C Shift Assignments>> C :: 174.117 CA :: 52.953 CB :: 45.619 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.495(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.75(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 C 0.29 P 0.11 K 0.04 Q 0.02 M 0.02 I 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 172.462 CA :: 61.729 CB :: 33.484 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 :: 8.81(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.282(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.22 L 0.18 C 0.07 K 0.04 F 0.03 Y 0.02 R 0.01 G 0.01 C Shift Assignments>> CA :: 50.561 CB :: 41.543 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 :: 8.243 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.716 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.83 M 0.15 C 0.01 C Shift Assignments>> C :: 173.498 CA :: 52.491 CB :: 18.607 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 A 0.31 C 0.15 K 0.03 C Shift Assignments>> C :: 175.042 CA :: 51.116 CB :: 22.964 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.127 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.792 Ave N Shift Values>> N :: 123.23(3.54) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 N 0.11 R 0.06 K 0.06 C 0.06 G 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 176.877 CA :: 51.165 CB :: 42.217 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 :: 7.181 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 :: 110.425 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.392 CA :: 65.668 CB :: 70.251 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 :: 8.331(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.778(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 E 0.16 R 0.16 Q 0.15 C 0.14 K 0.11 M 0.06 I 0.01 C Shift Assignments>> C :: 172.02 CA :: 56.636 CB :: 29.968 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 :: 7.508(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.552(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.16 F 0.15 N 0.13 Y 0.13 C 0.08 K 0.03 I 0.01 C Shift Assignments>> C :: 173.197 CA :: 55.117 CB :: 40.321 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 :: 8.12(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.798(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 H 0.16 R 0.16 C 0.15 K 0.13 E 0.07 Q 0.07 HN Overlap>> 1.N8 1.N8 C Shift Assignments>> CA :: 54.405 CB :: 31.674 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 :: 7.937(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.643(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.038 CA :: 45.328 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.179(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.941 Ave N Shift Values>> N :: 109.67(3.87) 1.G49 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 :: 174.987 CA :: 46.725 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.455 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.156 Ave N Shift Values>> N :: 109.67(3.87) 1.G50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.39 L 0.29 G 0.09 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 175.222 CA :: 43.496 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.687(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.163(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.15 Y 0.02 F 0.02 V 0.02 C Shift Assignments>> C :: 176.248 CA :: 65.489 CB :: 37.892 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 :: 10.067 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 :: 129.332 Ave N Shift Values>> N :: 121.46(4.28) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.4 C 0.05 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 180.193 CA :: 55.746 CB :: 19.015 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.683 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.656 Ave N Shift Values>> N :: 123.23(3.54) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 177.257 CA :: 47.572 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.317 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.663 Ave N Shift Values>> N :: 109.67(3.87) 1.A54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 A 0.4 I 0.03 C 0.03 C Shift Assignments>> C :: 181.25 CA :: 55.314 CB :: 18.422 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.465(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.054(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.81 C 0.13 Y 0.01 F 0.01 V 0.01 C Shift Assignments>> C :: 177.539 CA :: 66.071 CB :: 38.251 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 :: 9.176(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.278(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 C 0.15 I 0.09 D 0.07 L 0.05 N 0.03 C Shift Assignments>> C :: 179.95 CA :: 57.516 CB :: 39.271 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 :: 8.527(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.604(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.21 I 0.08 C 0.03 C Shift Assignments>> C :: 181.675 CA :: 56.107 CB :: 18.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.884(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.771(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.36 I 0.04 C 0.02 HN Overlap>> 1.Q64 1.Q64 C Shift Assignments>> C :: 178.209 CA :: 55.35 CB :: 18.155 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.367(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.57(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 174.066 CA :: 58.559 CB :: 65.799 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.837(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.032(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 E 0.18 C 0.17 H 0.17 R 0.14 I 0.04 M 0.04 K 0.02 L 0.01 C Shift Assignments>> C :: 176.738 CA :: 57.422 CB :: 29.158 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.447(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.219(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.817 CA :: 45.51 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.753(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.044(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.58 M 0.28 C 0.06 L 0.02 I 0.01 V 0.01 C Shift Assignments>> C :: 180.696 CA :: 55.147 CB :: 19.48 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.739(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.944(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.66 P 0.19 C 0.1 I 0.03 C Shift Assignments>> C :: 179.351 CA :: 66.765 CB :: 31.428 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 :: 8.343(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.957(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 E 0.17 R 0.14 H 0.14 Q 0.12 K 0.09 M 0.05 I 0.04 V 0.02 HN Overlap>> 1.A58 1.A58 C Shift Assignments>> C :: 176.648 CA :: 58.583 CB :: 30.118 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.389(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.625(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 V 0.29 K 0.1 M 0.05 R 0.05 Q 0.04 P 0.04 H 0.04 E 0.03 C Shift Assignments>> C :: 178.237 CA :: 60.478 CB :: 32.776 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 :: 7.598(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.086(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 E 0.16 R 0.14 H 0.13 Q 0.09 K 0.06 V 0.05 M 0.05 I 0.04 C Shift Assignments>> C :: 179.529 CA :: 59.103 CB :: 30.429 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 :: 8.037(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.997(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.889 CA :: 63.128 CB :: 63.239 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.519(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.186(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.27 C 0.13 L 0.08 D 0.08 I 0.08 N 0.01 K 0.01 C Shift Assignments>> C :: 179.317 CA :: 57.706 CB :: 39.97 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.708(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.509(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 I 0.15 E 0.13 K 0.1 R 0.09 H 0.09 Q 0.08 V 0.04 M 0.02 C Shift Assignments>> C :: 178.692 CA :: 60.085 CB :: 29.556 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 :: 7.765(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.74(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 C 0.16 Y 0.1 F 0.08 HN Overlap>> 1.A149 1.A149 C Shift Assignments>> C :: 176.549 CA :: 62.955 CB :: 38.405 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 :: 8.263(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.986(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 I 0.16 V 0.14 E 0.12 Y 0.06 K 0.03 M 0.03 F 0.03 Q 0.02 C Shift Assignments>> C :: 180.201 CA :: 60.784 CB :: 35.506 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 :: 8.471(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.343(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 R 0.18 F 0.17 L 0.13 Y 0.12 C 0.08 D 0.03 I 0.02 C Shift Assignments>> C :: 177.903 CA :: 58.473 CB :: 42.409 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 :: 7.993(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.502(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.62 M 0.23 C 0.06 L 0.03 V 0.02 I 0.01 HN Overlap>> 1.L166 1.L166 C Shift Assignments>> C :: 179.537 CA :: 55.001 CB :: 19.68 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.335(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.939(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.23 M 0.23 K 0.18 C 0.18 R 0.05 H 0.05 E 0.02 V 0.01 C Shift Assignments>> C :: 177.651 CA :: 55.882 CB :: 33.695 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.465(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.641(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.674 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.117(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.82(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.39 P 0.38 C 0.16 I 0.01 K 0.01 R 0.01 C Shift Assignments>> C :: 176.706 CA :: 62.796 CB :: 32.095 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.L77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.4 L 0.3 R 0.13 C 0.06 D 0.03 F 0.03 Y 0.01 C Shift Assignments>> C :: 176.328 CA :: 55.678 CB :: 44.678 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 :: 8.508(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.985(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 Q 0.17 R 0.16 C 0.14 K 0.11 E 0.11 M 0.08 C Shift Assignments>> C :: 175.939 CA :: 54.196 CB :: 29.803 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.408(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.564(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.23 I 0.16 C 0.14 C Shift Assignments>> C :: 177.36 CA :: 65.946 CB :: 30.4 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 :: 8.278(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.882(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 172.338 CA :: 45.286 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.511(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 119.043(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.26 D 0.13 G 0.09 C 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 173.34 CA :: 54.273 CB :: 43.53 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 :: 7.91(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.302(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.88 S 0.11 C Shift Assignments>> C :: 173.408 CA :: 56.732 CB :: 68.123 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.897(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 107.411(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.24 I 0.07 E 0.06 K 0.06 Q 0.05 M 0.04 Y 0.03 F 0.01 R 0.01 C Shift Assignments>> C :: 171.626 CA :: 60.784 CB :: 34.731 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 :: 8.919(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.345(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.24 D 0.16 K 0.1 F 0.06 C 0.04 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 175.237 CA :: 54.836 CB :: 42.915 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 :: 8.617(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.914(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.25 D 0.15 G 0.08 C 0.04 F 0.03 K 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 177.581 CA :: 53.846 CB :: 43.408 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 :: 9.254(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.257(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 E 0.16 K 0.14 Q 0.13 H 0.13 R 0.12 I 0.05 M 0.03 V 0.01 C Shift Assignments>> C :: 176.216 CA :: 58.391 CB :: 29.506 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 :: 10.03(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.579(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.493 CA :: 45.545 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.661(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.467(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 K 0.15 Q 0.15 R 0.13 E 0.12 H 0.11 I 0.08 L 0.05 M 0.01 C Shift Assignments>> C :: 174.611 CA :: 58.003 CB :: 28.207 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 :: 7.797(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.357(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.614 CA :: 61.189 CB :: 63.183 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.708(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.791(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.21 F 0.12 R 0.11 D 0.11 Y 0.09 C 0.06 I 0.01 C Shift Assignments>> C :: 175.823 CA :: 56.672 CB :: 42.085 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 :: 8.567(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.792(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 L 0.07 C 0.05 C Shift Assignments>> C :: 175.628 CA :: 50.694 CB :: 21.334 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.309(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.922(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 C 0.3 K 0.09 P 0.06 M 0.04 Q 0.04 R 0.04 H 0.03 E 0.02 C Shift Assignments>> C :: 176.997 CA :: 60.741 CB :: 32.91 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.864(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.47(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N93 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 C 0.15 L 0.12 C Shift Assignments>> C :: 171.936 CA :: 54.364 CB :: 47.578(S) 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 :: 7.455(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 108.348(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.26 I 0.25 C 0.15 L 0.02 K 0.01 D 0.01 C Shift Assignments>> C :: 173.292 CA :: 60.078 CB :: 40.086 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 :: 7.104(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.656(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.2 G 0.19 D 0.15 C 0.04 F 0.02 K 0.01 Y 0.01 N 0.01 C Shift Assignments>> C :: 174.017 CA :: 52.854 CB :: 43.644 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 :: 8.642(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.001(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 C 0.16 K 0.16 R 0.15 H 0.13 E 0.1 Q 0.06 V 0.02 C Shift Assignments>> C :: 174.621 CA :: 56.679 CB :: 31.865 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.119(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 129.657(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 V 0.13 K 0.12 Q 0.12 M 0.09 E 0.07 I 0.02 R 0.02 Y 0.02 H 0.02 C Shift Assignments>> C :: 172.763 CA :: 59.407 CB :: 34.383 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 :: 8.816(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.124(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 V 0.13 E 0.12 R 0.11 H 0.09 I 0.06 Q 0.05 K 0.05 M 0.03 P 0.02 C Shift Assignments>> C :: 175.316 CA :: 60.293 CB :: 30.652 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 :: 7.886(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.163(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.918 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.764(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.766(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.28 C 0.21 K 0.02 R 0.01 H 0.01 C Shift Assignments>> C :: 175.305 CA :: 62.28 CB :: 32.567 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.D101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 D 0.28 L 0.08 C 0.06 F 0.04 Y 0.03 HN Overlap>> 1.K116 1.K116 C Shift Assignments>> C :: 178.181 CA :: 51.909 CB :: 39.914 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.428(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.772(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.47 M 0.44 C 0.03 I 0.02 C Shift Assignments>> C :: 182.041 CA :: 55.038 CB :: 18.557 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.511(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.324(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 E 0.16 K 0.14 Q 0.13 H 0.13 R 0.12 I 0.06 M 0.03 V 0.01 C Shift Assignments>> C :: 177.75 CA :: 58.581 CB :: 29.474 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 :: 8.506(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.359(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.A104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.05 C 0.01 C Shift Assignments>> C :: 175.646 CA :: 50.962 CB :: 19.13 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.707(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.875(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 C 0.17 E 0.17 H 0.16 R 0.12 I 0.05 L 0.03 M 0.03 K 0.01 C Shift Assignments>> C :: 175.936 CA :: 57.224 CB :: 28.718 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 :: 7.776(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.345(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.17 H 0.14 C 0.13 E 0.11 R 0.11 L 0.06 M 0.02 I 0.02 C Shift Assignments>> C :: 175.314 CA :: 56.011 CB :: 28.474 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 :: 7.005 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.654 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.22 K 0.12 F 0.11 Y 0.09 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 176.569 CA :: 54.957 CB :: 41.123 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.324(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.188(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.56 P 0.32 C 0.09 C Shift Assignments>> C :: 175.713 CA :: 65.638 CB :: 32.232 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 :: 8.419(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.036(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.317 CA :: 61.074 CB :: 63.415 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.39(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.291(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.18 L 0.15 Y 0.14 C 0.08 R 0.07 D 0.06 I 0.02 C Shift Assignments>> C :: 178.582 CA :: 57.86 CB :: 41.83 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 :: 7.947(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.212(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.2 Y 0.15 L 0.12 C 0.09 R 0.07 D 0.04 I 0.04 C Shift Assignments>> C :: 178.544 CA :: 58.473 CB :: 41.837 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 :: 8.254(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.024(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 HN Overlap>> 1.C17 1.C17 C Shift Assignments>> C :: 175.46 CA :: 63.691 CB :: 63.762 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.743(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.546(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 V 0.28 K 0.11 Q 0.06 M 0.06 R 0.04 H 0.03 P 0.03 E 0.02 C Shift Assignments>> C :: 179.955 CA :: 60.39 CB :: 33.173 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 :: 6.968(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.716(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.53 I 0.36 C 0.09 C Shift Assignments>> C :: 174.603 CA :: 63.911 CB :: 26.904 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.353(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.934(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Y115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 C 0.19 Y 0.16 F 0.13 E 0.01 C Shift Assignments>> C :: 179.01 CA :: 61.624 CB :: 38.234 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 :: 7.828(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 113.653(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 C 0.3 K 0.09 P 0.05 M 0.05 Q 0.04 R 0.04 H 0.03 E 0.02 HN Overlap>> 1.D101 1.D101 C Shift Assignments>> C :: 179.602 CA :: 60.633 CB :: 32.887 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.51(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.842(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.46 A 0.46 C 0.03 I 0.03 C Shift Assignments>> C :: 178.802 CA :: 55.088 CB :: 18.509 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.227(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.565(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.15 R 0.13 H 0.11 E 0.1 M 0.1 V 0.08 Q 0.05 C Shift Assignments>> C :: 175.21 CA :: 58.677 CB :: 31.839 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 :: 7.425(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 113.84(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 Y 0.15 C 0.14 F 0.13 D 0.12 L 0.04 E 0.03 M 0.01 I 0.01 C Shift Assignments>> C :: 174.59 CA :: 54.812 CB :: 38.374 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 :: 7.151(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 110.959(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.2 C 0.01 C Shift Assignments>> C :: 175.094 CA :: 52.829 CB :: 18.385 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.561(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.068(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 D 0.18 Y 0.16 F 0.16 C 0.12 L 0.07 I 0.01 C Shift Assignments>> CA :: 55.068 CB :: 39.033 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 :: 7.208(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.097(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.51 P 0.37 C 0.1 C Shift Assignments>> C :: 175.534 CA :: 64.967 CB :: 32.467 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.L123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.26 G 0.17 D 0.06 C 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.654 CA :: 55.644 CB :: 44.08 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 :: 7.575(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.201(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 I 0.27 E 0.1 V 0.09 Y 0.09 F 0.04 M 0.01 K 0.01 C Shift Assignments>> C :: 172.925 CA :: 61.297 CB :: 36.079 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 :: 8.928(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.644(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.38 C 0.32 K 0.07 P 0.06 Q 0.04 M 0.03 R 0.02 I 0.01 H 0.01 E 0.01 C Shift Assignments>> C :: 173.802 CA :: 61.152 CB :: 33.496 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 :: 9.008(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.97(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 61.205 CB :: 73.043 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.119(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.196(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.49 C 0.27 P 0.12 I 0.03 K 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 175.764 CA :: 62.384 CB :: 33.783 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) 1.L128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.25 K 0.15 F 0.07 N 0.06 Y 0.05 C 0.04 R 0.04 C Shift Assignments>> C :: 174.359 CA :: 54.241 CB :: 41.689 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 :: 8.779(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.442(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 P 0.3 C 0.09 I 0.01 C Shift Assignments>> C :: 175.755 CA :: 65.989 CB :: 31.771 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 :: 7.381(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.663(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 S 0.01 HN Overlap>> 1.K164 1.K164 C Shift Assignments>> C :: 172.379 CA :: 65.855(S) CB :: 61.437 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.731(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.063(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 L 0.04 C 0.03 M 0.02 HN Overlap>> 1.Q27 1.Q27 C Shift Assignments>> C :: 177.071 CA :: 52.062 CB :: 20.618 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.247(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.093(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.348 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.702 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.465 Ave N Shift Values>> N :: 109.67(3.87) 1.I133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> E 0.23 C 0.23 N 0.16 M 0.11 Y 0.1 F 0.06 K 0.03 D 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 179.057 CA :: 55.071 CB :: 36.641 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) 1.G135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.53 A 0.15 G 0.14 C 0.06 N 0.05 D 0.01 C Shift Assignments>> C :: 175.031 CA :: 48.513 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.711(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.652(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 V 0.37 C 0.17 I 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 175.721 CA :: 62.719 CB :: 31.872 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 :: 9.263 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.159 Ave N Shift Values>> N :: 121.14(4.54) 1.K137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.17 C 0.16 R 0.14 H 0.13 E 0.07 Q 0.07 V 0.01 C Shift Assignments>> CA :: 55.91 CB :: 32.144 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.666(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.558(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.78 P 0.12 C 0.08 I 0.01 C Shift Assignments>> C :: 177.238 CA :: 67.183 CB :: 32.202 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.A139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.47 A 0.37 C 0.05 I 0.05 V 0.02 L 0.01 C Shift Assignments>> C :: 179.982 CA :: 55.846 CB :: 18.926 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.756(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.351(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.58 P 0.3 C 0.09 I 0.01 C Shift Assignments>> C :: 180.613 CA :: 65.949 CB :: 31.895 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 :: 7.348(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.404(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.54 CA :: 62.174 CB :: 64.008 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.41(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.932(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 F 0.25 Y 0.23 C 0.15 L 0.01 C Shift Assignments>> C :: 175.261 CA :: 60.784 CB :: 40.126 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 :: 8.92(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.823(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.19 Y 0.14 L 0.13 R 0.08 C 0.08 D 0.05 I 0.03 HN Overlap>> 1.Y32 1.Y32 C Shift Assignments>> C :: 178.418 CA :: 58.224 CB :: 41.914 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 :: 7.736(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.26(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.72 C 0.13 F 0.07 Y 0.06 C Shift Assignments>> C :: 176.449 CA :: 64.252 CB :: 39.541 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 :: 7.729(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.378(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.27 I 0.22 C 0.14 L 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 178.103 CA :: 59.729 CB :: 40.055 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 :: 7.33(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.815(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 C 0.21 V 0.05 Y 0.04 F 0.03 C Shift Assignments>> C :: 178.805 CA :: 63.992 CB :: 37.099 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 :: 8.164(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.788(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 R 0.13 E 0.13 H 0.11 V 0.1 K 0.09 M 0.06 Q 0.06 I 0.02 C Shift Assignments>> C :: 178.135 CA :: 59.512 CB :: 31.103 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 :: 7.639(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.388(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.E148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 R 0.17 H 0.16 C 0.14 K 0.12 E 0.1 Q 0.09 C Shift Assignments>> C :: 178.685 CA :: 55.512 CB :: 31.352 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 :: 7.525(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.035(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.49 M 0.4 C 0.04 I 0.03 V 0.01 HN Overlap>> 1.Y70 1.Y70 C Shift Assignments>> C :: 178.168 CA :: 55.266 CB :: 18.944 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.278(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.079(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.21 Q 0.19 K 0.14 E 0.1 H 0.02 R 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 175.292 CA :: 55.423 CB :: 34.685 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.205(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.854(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.452 CA :: 58.014 CB :: 70.673 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 :: 7.128(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.892(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.17 H 0.15 Q 0.15 C 0.14 R 0.14 K 0.13 M 0.05 I 0.02 C Shift Assignments>> C :: 173.818 CA :: 57.281 CB :: 29.757 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 :: 7.476(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.472(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.V153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.19 I 0.17 E 0.08 Y 0.05 K 0.03 F 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 175.351 CA :: 61.28 CB :: 35.388 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 :: 8.765(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.579(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.25 K 0.11 N 0.09 F 0.05 C 0.04 R 0.04 Y 0.03 C Shift Assignments>> C :: 174.572 CA :: 53.126 CB :: 41.804 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 :: 9.289(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.399(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 K 0.18 M 0.12 R 0.09 V 0.09 Q 0.09 H 0.08 E 0.06 C Shift Assignments>> C :: 173.711 CA :: 58.612 CB :: 32.683 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 :: 9.096(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.988(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 V 0.3 K 0.1 Q 0.06 M 0.05 R 0.03 P 0.03 H 0.02 E 0.01 I 0.01 C Shift Assignments>> C :: 175.069 CA :: 60.533 CB :: 33.371 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 :: 9.01(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.802(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 V 0.19 K 0.1 Q 0.09 M 0.07 E 0.05 I 0.03 R 0.02 Y 0.02 H 0.01 C Shift Assignments>> C :: 173.477 CA :: 60.05 CB :: 34.313 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 :: 9.218(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.08(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.57 C 0.14 D 0.06 Y 0.06 F 0.05 E 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 175.439 CA :: 52.937 CB :: 37.602 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 :: 7.973(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.001(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.933 CA :: 55.549 CB :: 64.372 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.219(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.782(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 C 0.23 K 0.11 E 0.1 Q 0.08 H 0.07 R 0.07 P 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 176.946 CA :: 59.997 CB :: 28.483 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 :: 9.344(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 130.308(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.23 C 0.11 L 0.11 K 0.09 D 0.07 I 0.06 C Shift Assignments>> C :: 178.997 CA :: 58.022 CB :: 40.747 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.342(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.174(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.68 P 0.21 C 0.09 C Shift Assignments>> C :: 177.993 CA :: 66.417 CB :: 32.308 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 :: 7.586(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.976(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.66 C 0.13 F 0.1 Y 0.08 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> C :: 178.401 CA :: 63.766 CB :: 40.03 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 :: 8.381(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.686(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 V 0.23 K 0.12 R 0.08 M 0.06 H 0.06 E 0.05 Q 0.04 P 0.03 HN Overlap>> 1.S130 1.S130 C Shift Assignments>> C :: 177.973 CA :: 60.079 CB :: 32.371 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.762(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.014(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.396 CA :: 61.601 CB :: 63.719 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.655(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.473(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.19 D 0.16 R 0.14 F 0.08 Y 0.06 C 0.05 N 0.01 HN Overlap>> 1.A73 1.A73 C Shift Assignments>> C :: 176.823 CA :: 55.558 CB :: 42.304 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 :: 7.315(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.991(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.548 CA :: 61.491 CB :: 70.291 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 :: 7.176(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.187(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.73 C 0.13 F 0.06 Y 0.06 C Shift Assignments>> CA :: 64.225 CB :: 39.17 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 :: 7.103(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.941(D) Ave N Shift Values>> N :: 121.46(4.28) 2.APR1 Overall Status: Residue type APR not supported. ########################################################################### Overall Results: #Consistent: 24 #Clerical: 141 #Suspicious: 2 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 161 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 168 #Suspicious: 0 C Shift Results: #Consistent: 461 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 10 #Duplicate: 143 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 12 #Duplicate: 142 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L6 H = 8.112(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5595e-01 1.L6 N = 116.104(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3997e-01 1.S7 H = 7.898(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1734e-01 1.S7 N = 113.066(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.6121e-01 1.N8 H = 7.861(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.4707e-01 1.N8 N = 116.674(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.7561e-01 1.F9 H = 8.036(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.5271e-01 1.F9 N = 117.897(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.4135e-01 1.E10 H = 9.605(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0694e-02 1.E10 N = 129.089(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5552e-02 1.H11 H = 8.271(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.6364e-01 1.H11 N = 121.379(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.7284e-01 1.K12 H = 9.267(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2654e-02 1.K12 N = 119.291(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.4080e-01 1.V13 H = 9.036(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.6552e-01 1.V13 N = 129.397(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8954e-02 1.I14 H = 8.893(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.6734e-01 1.I14 N = 130.072(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.4204e-02 1.T15 H = 8.531(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.3882e-01 1.T15 N = 110.218(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.7345e-01 1.E16 H = 9.006(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5189e-01 1.E16 N = 116.573(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.3908e-01 1.C17 H = 7.786(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.6733e-01 1.C17 N = 113.494(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.5021e-01 1.V18 H = 7.472(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.2213e-01 1.V18 N = 119.166(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6371e-01 1.T19 H = 8.495(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.8086e-01 1.T19 N = 127.103(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.3910e-02 1.I20 H = 9.173(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8910e-01 1.I20 N = 126.72(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1908e-01 1.V21 H = 9.5(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.0923e-02 1.V21 N = 128.096(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2548e-01 1.L22 H = 8.383(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1391e-01 1.L22 N = 129.582(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7704e-02 1.G23 H = 8.697(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.7234e-01 1.G23 N = 114.489(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1305e-01 1.D24 H = 7.745(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2999e-01 1.D24 N = 117.229(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.7547e-01 1.A25 H = 11.122(S), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1160e-06 1.I26 H = 8.361(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.0518e-01 1.I26 N = 115.724(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.8018e-01 1.Q27 H = 7.248(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.9464e-02 1.Q27 N = 118.082(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.1551e-01 1.V28 H = 8.018(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8476e-01 1.V28 N = 119.833(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.7343e-01 1.A29 H = 8.382(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6164e-01 1.A29 N = 120.679(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7114e-01 1.K30 H = 7.514(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.5988e-01 1.K30 N = 115.988(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.7937e-01 1.C31 H = 7.634(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.5917e-01 1.C31 N = 114.952(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.6077e-01 1.Y32 H = 7.681(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.8139e-01 1.Y32 N = 118.281(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.9397e-01 1.G33 H = 8.855(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1927e-01 1.G33 N = 113.303(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4785e-01 1.E34 H = 9.149(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.6510e-01 1.E34 N = 117.456(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.5571e-01 1.S35 H = 8.063(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.1302e-01 1.S35 N = 115.404(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0347e-01 1.V36 H = 7.758(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.2718e-01 1.V36 N = 118.817(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0888e-01 1.L37 H = 7.495(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5815e-01 1.L37 N = 128.75(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7284e-02 1.V38 H = 8.81(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.3768e-01 1.V38 N = 129.282(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2910e-02 1.T43 H = 8.331(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8331e-01 1.T43 N = 107.778(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.0765e-01 1.H44 H = 7.508(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.8172e-01 1.H44 N = 115.552(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.0090e-01 1.L45 H = 8.12(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6562e-01 1.L45 N = 114.798(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0177e-02 1.K46 H = 7.937(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.7327e-01 1.K46 N = 116.643(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.4242e-01 1.G48 H = 8.179(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1630e-01 1.G50 H = 8.687(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8285e-01 1.G50 N = 113.163(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6675e-01 1.A54 H = 7.465(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.2058e-01 1.A54 N = 128.054(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.7297e-01 1.I55 H = 9.176(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8762e-01 1.I55 N = 123.278(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7101e-01 1.N56 H = 8.527(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.6660e-01 1.N56 N = 116.604(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.6382e-01 1.A57 H = 8.884(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5429e-01 1.A57 N = 124.771(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.6334e-01 1.A58 H = 8.367(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8076e-01 1.A58 N = 123.57(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2348e-01 1.S59 H = 7.837(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.5274e-01 1.S59 N = 112.032(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2750e-01 1.K60 H = 8.447(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6841e-01 1.K60 N = 122.219(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.5650e-01 1.G61 H = 7.753(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.7471e-01 1.G61 N = 104.044(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4602e-01 1.A62 H = 7.739(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4229e-01 1.A62 N = 125.944(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4328e-01 1.V63 H = 8.343(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.3695e-01 1.V63 N = 117.957(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.8324e-01 1.Q64 H = 8.389(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.7454e-01 1.Q64 N = 123.625(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.9950e-01 1.K65 H = 7.598(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2381e-01 1.K65 N = 120.086(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.9818e-01 1.E66 H = 8.037(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1946e-01 1.E66 N = 119.997(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4665e-01 1.S67 H = 8.519(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.8541e-01 1.S67 N = 117.186(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.9688e-01 1.D68 H = 8.708(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.9258e-01 1.D68 N = 122.509(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3009e-01 1.E69 H = 7.765(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3825e-01 1.E69 N = 119.74(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8928e-01 1.Y70 H = 8.263(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.3776e-01 1.Y70 N = 122.986(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.5711e-01 1.I71 H = 8.471(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7880e-01 1.I71 N = 120.343(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.9411e-01 1.L72 H = 7.993(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1540e-01 1.L72 N = 121.502(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2686e-01 1.A73 H = 7.335(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4940e-01 1.A73 N = 118.939(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2546e-01 1.K74 H = 8.465(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.4671e-01 1.K74 N = 115.641(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.5136e-01 1.G75 H = 8.117(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4314e-01 1.G75 N = 110.82(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.6635e-01 1.L77 H = 8.508(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.6887e-01 1.L77 N = 122.985(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7299e-01 1.Q78 H = 8.408(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.5000e-01 1.Q78 N = 116.564(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.5554e-01 1.V79 H = 8.278(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.8571e-01 1.V79 N = 120.882(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5468e-01 1.G80 H = 9.511(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9229e-02 1.G80 N = 119.043(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5437e-02 1.D81 H = 7.91(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.9041e-01 1.D81 N = 119.302(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2692e-01 1.S82 H = 7.897(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1624e-01 1.S82 N = 107.411(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.1749e-02 1.V83 H = 8.919(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.4783e-01 1.V83 N = 117.345(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.0321e-01 1.L84 H = 8.617(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.5159e-01 1.L84 N = 131.914(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9389e-03 1.L85 H = 9.254(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1517e-01 1.L85 N = 131.257(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.5975e-02 1.Q86 H = 10.03(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.1564e-03 1.Q86 N = 121.579(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.3895e-01 1.G87 H = 8.661(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.1059e-01 1.G87 N = 104.467(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.7880e-01 1.H88 H = 7.797(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.1474e-01 1.H88 N = 114.357(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.8245e-01 1.S89 H = 8.708(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.6819e-01 1.S89 N = 108.791(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.3374e-02 1.L90 H = 8.567(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0414e-01 1.L90 N = 122.792(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1113e-01 1.A91 H = 7.309(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3754e-01 1.A91 N = 115.922(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8979e-02 1.K92 H = 8.864(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.6130e-01 1.K92 N = 122.47(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.0643e-01 1.N93 Typing: Mistyped 1.N93 CB = 47.578(S), Expected = 38.69, Std = 1.6900, ChiSquare = 1.4471e-07 1.N93 H = 7.455(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.6009e-01 1.N93 N = 108.348(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.6444e-03 1.I94 H = 7.104(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.3735e-02 1.I94 N = 119.656(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7339e-01 1.L95 H = 8.642(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2618e-01 1.L95 N = 130.001(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6849e-02 1.H96 H = 9.119(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.9613e-01 1.H96 N = 129.657(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.2712e-02 1.V97 H = 8.816(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.3241e-01 1.V97 N = 120.124(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2292e-01 1.V98 H = 7.886(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.4652e-01 1.V98 N = 123.163(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5589e-01 1.G99 H = 8.764(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.0433e-01 1.G99 N = 115.766(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1521e-01 1.D101 H = 8.428(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3878e-01 1.D101 N = 119.772(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.2007e-01 1.A102 H = 9.511(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.8889e-02 1.A102 N = 130.324(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5075e-02 1.R103 H = 8.506(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.6279e-01 1.R103 N = 119.359(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.9537e-01 1.A104 H = 6.707(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2834e-02 1.A104 N = 118.875(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1861e-01 1.K105 H = 7.776(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.9019e-01 1.K105 N = 113.345(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0977e-02 1.D107 H = 8.324(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8074e-01 1.D107 N = 120.188(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.0473e-01 1.V108 H = 8.419(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.4732e-01 1.V108 N = 128.036(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2878e-01 1.S109 H = 8.39(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.5210e-01 1.S109 N = 114.291(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7204e-01 1.L110 H = 7.947(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.6328e-01 1.L110 N = 125.212(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9007e-01 1.L111 H = 8.254(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7055e-01 1.L111 N = 120.024(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3781e-01 1.S112 H = 7.743(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6273e-01 1.S112 N = 113.546(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.3733e-01 1.K113 H = 6.968(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.1683e-02 1.K113 N = 119.716(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.2345e-01 1.C114 H = 7.353(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.2168e-01 1.C114 N = 117.934(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.2988e-01 1.Y115 H = 7.828(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.0033e-01 1.Y115 N = 113.653(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.0205e-01 1.K116 H = 8.51(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9380e-01 1.K116 N = 119.842(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.4865e-01 1.A117 H = 7.227(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0487e-01 1.A117 N = 119.565(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0052e-01 1.M118 H = 7.425(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.6402e-01 1.M118 N = 113.84(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.9998e-02 1.N119 H = 7.151(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.9120e-02 1.N119 N = 110.959(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7938e-02 1.A120 H = 6.561(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.3015e-03 1.A120 N = 120.068(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7174e-01 1.Y121 H = 7.208(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.2769e-01 1.Y121 N = 119.097(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.3475e-01 1.L123 H = 7.575(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1360e-01 1.L123 N = 118.201(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.4814e-01 1.V124 H = 8.928(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.4098e-01 1.V124 N = 130.644(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6314e-02 1.V125 H = 9.008(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8388e-01 1.V125 N = 127.97(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.3248e-01 1.T126 H = 9.119(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.5627e-01 1.T126 N = 121.196(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.2398e-01 1.L128 H = 8.779(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9833e-01 1.L128 N = 117.442(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5729e-01 1.V129 H = 7.381(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7487e-01 1.V129 N = 127.663(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.5078e-01 1.S130 CA = 65.855(S), Expected = 58.72, Std = 2.0700, ChiSquare = 5.6714e-04 1.S130 H = 8.731(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.4463e-01 1.S130 N = 119.063(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.2916e-01 1.A131 H = 7.247(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1221e-01 1.A131 N = 118.093(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.4674e-01 1.G135 H = 7.711(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.4094e-01 1.G135 N = 102.652(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9765e-02 1.K137 H = 8.666(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.2758e-01 1.K137 N = 127.558(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4301e-02 1.A139 H = 8.756(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5410e-01 1.A139 N = 115.351(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.6034e-02 1.V140 H = 7.348(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.5973e-01 1.V140 N = 118.404(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.4675e-01 1.S141 H = 7.41(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.4033e-01 1.S141 N = 111.932(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.1675e-01 1.F142 H = 8.92(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.3670e-01 1.F142 N = 116.823(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.8556e-01 1.D143 H = 7.736(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2234e-01 1.D143 N = 118.26(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.3580e-01 1.Y144 H = 7.729(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.1818e-01 1.Y144 N = 115.378(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.2084e-01 1.L145 H = 7.33(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6617e-01 1.L145 N = 121.815(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9079e-01 1.I146 H = 8.164(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.6455e-01 1.I146 N = 116.788(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.7501e-01 1.R147 H = 7.639(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.2450e-01 1.R147 N = 118.388(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.1219e-01 1.E148 H = 7.525(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7244e-01 1.E148 N = 114.035(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6571e-02 1.A149 H = 8.278(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9657e-01 1.A149 N = 123.079(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6598e-01 1.K150 H = 9.205(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0710e-02 1.K150 N = 122.854(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.3228e-01 1.T151 H = 7.128(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2885e-02 1.T151 N = 115.892(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2085e-01 1.R152 H = 7.476(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.1040e-01 1.R152 N = 120.472(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.2898e-01 1.V153 H = 8.765(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.7835e-01 1.V153 N = 126.579(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.3091e-01 1.L154 H = 9.289(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0326e-01 1.L154 N = 129.399(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3227e-02 1.V155 H = 9.096(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.2898e-01 1.V155 N = 124.988(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.9667e-01 1.V156 H = 9.01(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8254e-01 1.V156 N = 128.802(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1476e-02 1.V157 H = 9.218(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6603e-01 1.V157 N = 122.08(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3597e-01 1.N158 H = 7.973(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.6020e-01 1.N158 N = 121.001(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.0732e-01 1.S159 H = 7.219(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.2129e-02 1.S159 N = 113.782(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.7792e-01 1.Q160 H = 9.344(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.6769e-02 1.Q160 N = 130.308(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.8050e-03 1.D161 H = 8.342(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5600e-01 1.D161 N = 119.174(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0218e-01 1.V162 H = 7.586(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9338e-01 1.V162 N = 121.976(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5390e-01 1.Y163 H = 8.381(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.3341e-01 1.Y163 N = 120.686(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.6847e-01 1.K164 H = 8.762(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.4042e-01 1.K164 N = 119.014(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.8916e-01 1.S165 H = 7.655(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.8945e-01 1.S165 N = 113.473(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.2519e-01 1.L166 H = 7.315(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5922e-01 1.L166 N = 118.991(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6195e-01 1.T167 H = 7.176(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.6138e-02 1.T167 N = 106.187(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.1921e-02 1.I168 H = 7.103(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.3473e-02 1.I168 N = 125.941(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9512e-01