Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.18 N 0.13 L 0.11 A 0.11 M 0.09 H 0.07 Q 0.06 R 0.06 K 0.05 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.012(D) CA :: 54.370(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 1.K3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.12 M 0.11 Q 0.11 R 0.1 K 0.1 L 0.09 E 0.08 F 0.06 Y 0.06 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> 1.E68 1.E68 C Shift Assignments>> C :: 176.471(D) CA :: 56.337(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.413(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.683(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.12 H 0.1 Q 0.1 R 0.09 D 0.08 K 0.08 E 0.06 F 0.05 Y 0.04 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 176.159(D) CA :: 55.741(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.533(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 :: 121.755(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 T 0.27 V 0.25 S 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 174.265(D) CA :: 61.857(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.181(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 :: 115.348(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.12 H 0.1 Q 0.09 D 0.09 R 0.09 K 0.08 E 0.06 F 0.05 Y 0.04 N 0.03 A 0.03 S 0.02 HN Overlap>> 1.E42 1.E42 C Shift Assignments>> C :: 174.867(D) CA :: 55.654(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.427(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.842(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.12 R 0.11 E 0.1 Q 0.1 H 0.1 M 0.08 F 0.08 Y 0.08 L 0.06 S 0.05 D 0.03 I 0.01 C Shift Assignments>> C :: 176.529(D) CA :: 56.982(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.509(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.446(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 T 0.27 V 0.25 S 0.05 F 0.04 Y 0.04 HN Overlap>> 1.M38 1.M38 C Shift Assignments>> C :: 174.238(D) CA :: 61.810(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.169(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.776(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.12 Q 0.11 M 0.11 R 0.11 K 0.1 L 0.09 E 0.08 F 0.06 Y 0.06 D 0.05 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 176.136(D) CA :: 56.412(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.444(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 :: 123.866(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 L 0.12 N 0.1 M 0.09 A 0.08 H 0.08 Q 0.07 R 0.06 K 0.05 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 177.823(D) CA :: 54.643(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.149(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 :: 123.179(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 S 0.13 T 0.12 V 0.12 F 0.11 Y 0.11 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 C Shift Assignments>> C :: 174.830(D) CA :: 60.240(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.443(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.456(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 S 0.13 T 0.12 V 0.12 F 0.11 Y 0.11 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.443(D) CA :: 60.248(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.743(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.489(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.12 K 0.11 F 0.1 R 0.1 Y 0.1 H 0.09 Q 0.09 M 0.07 S 0.07 L 0.05 D 0.02 I 0.01 V 0.01 HN Overlap>> 1.R26 1.R26 C Shift Assignments>> C :: 178.914(D) CA :: 57.421(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.092(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 :: 115.892(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.14 F 0.14 E 0.08 K 0.07 R 0.07 H 0.05 Q 0.05 I 0.04 M 0.04 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 179.104(D) CA :: 58.726(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.533(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.356(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.38 V 0.37 I 0.14 S 0.09 C Shift Assignments>> C :: 178.099(D) CA :: 67.110(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.282(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 :: 122.113(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 T 0.14 V 0.14 S 0.12 F 0.1 Y 0.1 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.539 CA :: 60.438(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.040(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 :: 119.091(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.15 Y 0.13 F 0.13 I 0.12 T 0.08 V 0.08 E 0.06 K 0.05 R 0.04 H 0.04 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.E50 1.E50 C Shift Assignments>> C :: 179.091(D) CA :: 59.781(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.710(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 :: 118.938(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.14 F 0.14 E 0.08 K 0.07 R 0.06 I 0.06 H 0.05 Q 0.05 V 0.04 M 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 179.888(D) CA :: 58.921(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.879(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 :: 118.896(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.12 Y 0.12 E 0.11 K 0.09 R 0.09 S 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 178.769(D) CA :: 57.780(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.506(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 :: 122.797(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 T 0.25 I 0.17 S 0.1 C Shift Assignments>> C :: 176.004(D) CA :: 67.124(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.839(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.871(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.13 F 0.13 I 0.11 T 0.08 V 0.07 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 179.345(D) CA :: 59.662(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.057(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.024(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 T 0.24 V 0.22 F 0.05 Y 0.05 S 0.05 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 177.335(D) CA :: 61.548(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.031(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 :: 115.336(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.04 A 0.02 C Shift Assignments>> C :: 175.698(D) CA :: 47.435(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.048(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.252(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.13 F 0.13 I 0.09 E 0.07 V 0.06 T 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 178.982(D) CA :: 59.445(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.579(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.246(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.14 F 0.14 E 0.08 I 0.07 K 0.06 R 0.06 H 0.05 V 0.04 Q 0.04 T 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 178.570(D) CA :: 59.105(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.640(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.522(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.12 F 0.11 Y 0.11 K 0.1 R 0.1 H 0.08 Q 0.08 S 0.07 M 0.07 L 0.05 D 0.02 I 0.01 V 0.01 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 177.530(D) CA :: 57.536(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.022(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.905(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.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 172.648(D) CA :: 45.330(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.575(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.295(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.14 F 0.14 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.05 M 0.04 I 0.04 V 0.02 L 0.02 T 0.02 C Shift Assignments>> C :: 173.185(D) CA :: 58.589(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.074(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 :: 117.024(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 A 0.23 D 0.14 L 0.08 M 0.06 H 0.04 R 0.04 Q 0.03 K 0.03 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.421(D) CA :: 53.470(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.247(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 :: 122.620(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.13 Y 0.13 E 0.11 S 0.1 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.04 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 176.638(D) CA :: 57.929(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.008(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 :: 110.399(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.3 T 0.27 I 0.21 S 0.14 F 0.02 Y 0.02 C Shift Assignments>> C :: 179.518(D) CA :: 62.719(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.419(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 :: 120.218(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 T 0.25 V 0.23 F 0.05 Y 0.05 S 0.05 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 179.114(D) CA :: 61.607(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.747(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 :: 119.364(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.14 F 0.14 E 0.08 K 0.07 R 0.06 H 0.05 I 0.05 Q 0.05 M 0.04 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 178.761(D) CA :: 58.874(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.591(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 :: 123.112(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.34 S 0.25 T 0.23 I 0.16 C Shift Assignments>> C :: 177.335(D) CA :: 65.766(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.597(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.121(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 D 0.13 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.07 N 0.06 E 0.05 A 0.05 F 0.04 Y 0.04 S 0.01 C Shift Assignments>> C :: 181.145(D) CA :: 55.178(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.273(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.355(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.13 F 0.13 I 0.1 V 0.07 T 0.06 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 180.088(D) CA :: 59.513(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.173(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 :: 117.804(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.12 F 0.11 Y 0.11 K 0.1 R 0.09 H 0.08 Q 0.08 S 0.07 M 0.07 L 0.04 D 0.02 I 0.01 V 0.01 C Shift Assignments>> C :: 178.664 CA :: 57.558(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.010(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.628(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.M38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> L 0.13 M 0.12 H 0.1 Q 0.1 R 0.09 K 0.08 D 0.08 E 0.06 F 0.05 Y 0.05 N 0.03 A 0.02 S 0.02 HN Overlap>> 1.T8 1.T8 C Shift Assignments>> C :: 177.719(D) CA :: 55.784(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.169 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.776(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.28 I 0.28 V 0.26 F 0.04 Y 0.04 S 0.03 C Shift Assignments>> C :: 175.724(D) CA :: 61.927(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.623(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 :: 115.944(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.13 F 0.13 I 0.1 V 0.07 T 0.07 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 173.757(D) CA :: 59.550(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.016(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 :: 115.536(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.12 R 0.11 E 0.1 Q 0.1 H 0.1 M 0.08 F 0.08 Y 0.08 L 0.06 S 0.04 D 0.03 I 0.01 C Shift Assignments>> C :: 174.746(D) CA :: 56.958(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.712(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.810(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.13 L 0.11 H 0.11 Q 0.1 R 0.1 K 0.09 D 0.07 E 0.07 F 0.05 Y 0.05 N 0.02 S 0.02 A 0.02 HN Overlap>> 1.H6 1.H6 C Shift Assignments>> C :: 175.256(D) CA :: 55.976(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.358(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.922(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.14 F 0.13 I 0.08 E 0.07 K 0.06 R 0.06 V 0.05 T 0.05 H 0.05 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.285(D) CA :: 59.266(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.082(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 :: 122.731(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.12 H 0.1 Q 0.1 R 0.09 K 0.08 D 0.08 E 0.06 F 0.05 Y 0.05 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 178.197(D) CA :: 55.850(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.580(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 :: 125.713(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.31 V 0.29 I 0.26 F 0.03 Y 0.03 S 0.02 C Shift Assignments>> C :: 176.419(D) CA :: 62.198(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.920(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.407(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.12 K 0.11 Q 0.11 H 0.11 E 0.1 M 0.09 F 0.07 Y 0.07 L 0.07 S 0.04 D 0.03 C Shift Assignments>> C :: 178.606(D) CA :: 56.851(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.737(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 :: 119.618(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 S 0.13 E 0.1 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.05 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> C :: 179.403(D) CA :: 58.295(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.442(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.215(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.12 Q 0.12 R 0.11 M 0.11 K 0.1 L 0.08 E 0.08 F 0.06 Y 0.06 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 177.094(D) CA :: 56.453(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.725(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 :: 121.012(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.12 Y 0.12 E 0.11 K 0.09 R 0.09 S 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 179.501(D) CA :: 57.794(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.209(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 :: 119.318(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.13 F 0.13 I 0.08 E 0.07 K 0.06 V 0.06 T 0.05 R 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 HN Overlap>> 1.E17 1.E17 C Shift Assignments>> C :: 179.028(D) CA :: 59.351(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.700(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 :: 118.946(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.13 F 0.13 I 0.11 T 0.08 V 0.08 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.583(D) CA :: 59.670(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.628(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 :: 122.685(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Y52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 Y 0.14 F 0.14 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.04 I 0.04 L 0.02 V 0.02 T 0.02 D 0.01 C Shift Assignments>> C :: 180.292(D) CA :: 58.479(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.643(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 :: 118.659(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.13 F 0.13 I 0.1 V 0.07 T 0.07 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 178.932(D) CA :: 59.523(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.126(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.538(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.19 V 0.18 S 0.09 F 0.08 Y 0.08 E 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.492(D) CA :: 60.891(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.191(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 :: 123.449(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 S 0.14 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.04 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> C :: 179.541(D) CA :: 58.399(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.600(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 :: 120.500(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.04 A 0.02 C Shift Assignments>> C :: 178.390(D) CA :: 47.341(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.804(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.848(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.14 F 0.14 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 I 0.05 M 0.04 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 178.362(D) CA :: 58.741(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.925(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 :: 123.827(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 N 0.13 L 0.11 A 0.11 M 0.09 H 0.07 Q 0.06 R 0.06 K 0.05 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.422(D) CA :: 54.390(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.523(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 :: 115.538(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.835(D) CA :: 45.503(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.660(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.787(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 T 0.27 V 0.25 S 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 174.634(D) CA :: 61.836(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.762(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 :: 122.173(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.13 L 0.12 H 0.11 Q 0.1 R 0.1 K 0.09 D 0.07 E 0.07 F 0.05 Y 0.05 N 0.02 S 0.02 A 0.02 C Shift Assignments>> C :: 173.898(D) CA :: 55.954(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.861(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 :: 128.434(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 N 0.25 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 176.823(D) CA :: 53.111(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.841(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.420(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.14 F 0.14 E 0.08 K 0.07 R 0.06 H 0.05 I 0.05 Q 0.05 M 0.04 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 174.724(D) CA :: 58.811(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.838(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.459(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.12 R 0.11 Q 0.1 H 0.1 E 0.1 M 0.09 F 0.08 Y 0.07 L 0.06 S 0.04 D 0.03 C Shift Assignments>> C :: 175.706(D) CA :: 56.886(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.613(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.102(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.12 Y 0.12 E 0.11 K 0.09 S 0.09 R 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 176.468(D) CA :: 57.799(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.760(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 :: 127.197(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.29 N 0.25 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 175.144(D) CA :: 53.168(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.400(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.025(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.12 R 0.11 Q 0.1 H 0.1 E 0.1 M 0.09 F 0.08 Y 0.07 L 0.06 S 0.04 D 0.03 HN Overlap>> 1.D71 1.D71 C Shift Assignments>> C :: 176.580(D) CA :: 56.895(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.258(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.192(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.12 K 0.11 Q 0.11 H 0.11 E 0.09 M 0.09 F 0.07 L 0.07 Y 0.07 S 0.04 D 0.03 N 0.01 HN Overlap>> 1.K3 1.K3 C Shift Assignments>> C :: 176.748(D) CA :: 56.768(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.368(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.610(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.27 V 0.25 S 0.06 F 0.04 Y 0.04 C Shift Assignments>> C :: 174.654(D) CA :: 61.918(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.072(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.690(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.12 R 0.12 Q 0.11 H 0.1 E 0.1 M 0.09 F 0.07 Y 0.07 L 0.06 S 0.04 D 0.03 C Shift Assignments>> C :: 176.070(D) CA :: 56.866(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.381(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.921(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 D 0.17 A 0.16 L 0.1 M 0.07 H 0.06 R 0.05 Q 0.05 K 0.04 F 0.02 E 0.02 Y 0.02 HN Overlap>> 1.E67 1.E67 C Shift Assignments>> C :: 176.467(D) CA :: 53.958(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.331(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.243(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 H 0.11 Q 0.11 R 0.1 L 0.1 K 0.09 E 0.07 D 0.06 F 0.06 Y 0.05 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 178.066(D) CA :: 56.178(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.167(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 :: 122.484(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.12 R 0.11 E 0.11 Q 0.1 H 0.1 F 0.08 M 0.08 Y 0.08 L 0.06 S 0.05 D 0.03 I 0.01 HN Overlap>> 1.H75 1.H75 C Shift Assignments>> CA :: 57.029(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.226(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 :: 118.596(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H74 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 7.993(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 :: 117.038(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H75 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.E73 1.E73 H Shift Assignments>> H :: 8.226(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 :: 118.596(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H76 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.478(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.515(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H77 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.189(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 :: 125.326(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 3 #Clerical: 76 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 2 #Duplicate: 141 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 1 #Duplicate: 74 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 75 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D2 C = 176.012(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.2454e-01 1.D2 CA = 54.370(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.7474e-01 1.K3 C = 176.471(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.3266e-01 1.K3 CA = 56.337(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.8052e-01 1.K3 H = 8.413(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1014e-01 1.K3 N = 121.683(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.6666e-01 1.Q4 C = 176.159(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.3828e-01 1.Q4 CA = 55.741(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.9847e-01 1.Q4 H = 8.533(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.9576e-01 1.Q4 N = 121.755(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.0442e-01 1.T5 C = 174.265(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.7584e-01 1.T5 CA = 61.857(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8854e-01 1.T5 H = 8.181(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2419e-01 1.T5 N = 115.348(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.8791e-01 1.H6 C = 174.867(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.4585e-01 1.H6 CA = 55.654(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.0774e-01 1.H6 H = 8.427(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.8332e-01 1.H6 N = 120.842(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.7335e-01 1.E7 C = 176.529(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6118e-01 1.E7 CA = 56.982(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.7152e-01 1.E7 H = 8.509(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.6159e-01 1.E7 N = 122.446(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0981e-01 1.T8 C = 174.238(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6376e-01 1.T8 CA = 61.810(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7422e-01 1.T8 H = 8.169(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0883e-01 1.T8 N = 114.776(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.9215e-01 1.E9 C = 176.136(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.0661e-01 1.E9 CA = 56.412(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.6396e-01 1.E9 H = 8.444(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.4679e-01 1.E9 N = 123.866(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.5841e-01 1.L10 C = 177.823(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.7397e-01 1.L10 CA = 54.643(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.4646e-01 1.L10 H = 8.149(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0083e-01 1.L10 N = 123.179(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3521e-01 1.T11 C = 174.830(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6912e-01 1.T11 CA = 60.240(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.4458e-01 1.T11 H = 8.443(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.4335e-01 1.T11 N = 112.456(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.3263e-01 1.F12 C = 176.443(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.0720e-01 1.F12 CA = 60.248(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.9890e-01 1.F12 H = 8.743(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.9476e-01 1.F12 N = 122.489(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.2569e-01 1.D13 C = 178.914(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.5084e-01 1.D13 CA = 57.421(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7852e-01 1.D13 H = 8.092(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0702e-01 1.D13 N = 115.892(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.1771e-01 1.Q14 C = 179.104(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.5191e-01 1.Q14 CA = 58.726(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.1371e-01 1.Q14 H = 7.533(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.4426e-01 1.Q14 N = 119.356(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.8208e-01 1.V15 C = 178.099(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.9198e-01 1.V15 CA = 67.110(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0623e-01 1.V15 H = 8.282(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.9047e-01 1.V15 N = 122.113(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3030e-01 1.K16 CA = 60.438(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1286e-01 1.K16 H = 8.040(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0259e-01 1.K16 N = 119.091(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0332e-01 1.E17 C = 179.091(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.5471e-01 1.E17 CA = 59.781(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3899e-01 1.E17 H = 7.710(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.9333e-01 1.E17 N = 118.938(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.1869e-01 1.Q18 C = 179.888(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.6525e-02 1.Q18 CA = 58.921(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.7194e-01 1.Q18 H = 7.879(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.6329e-01 1.Q18 N = 118.896(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.8246e-01 1.L19 C = 178.769(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.6893e-01 1.L19 CA = 57.780(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1054e-01 1.L19 H = 8.506(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7112e-01 1.L19 N = 122.797(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1013e-01 1.T20 C = 176.004(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.0551e-01 1.T20 CA = 67.124(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.8300e-02 1.T20 H = 8.839(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.3398e-01 1.T20 N = 117.871(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.0585e-01 1.E21 C = 179.345(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.0436e-01 1.E21 CA = 59.662(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.6247e-01 1.E21 H = 8.057(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4357e-01 1.E21 N = 120.024(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5273e-01 1.S22 C = 177.335(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.1445e-01 1.S22 CA = 61.548(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7188e-01 1.S22 H = 8.031(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7300e-01 1.S22 N = 115.336(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.8856e-01 1.G23 C = 175.698(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.3088e-01 1.G23 CA = 47.435(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.1972e-01 1.G23 H = 9.048(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.6933e-01 1.G23 N = 110.252(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8046e-01 1.K24 C = 178.982(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.4160e-01 1.K24 CA = 59.445(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.5676e-01 1.K24 H = 8.579(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1677e-01 1.K24 N = 121.246(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.5854e-01 1.K25 C = 178.570(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.3454e-01 1.K25 CA = 59.105(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.2731e-01 1.K25 H = 7.640(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5932e-01 1.K25 N = 118.522(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.0250e-01 1.R26 C = 177.530(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.8114e-01 1.R26 CA = 57.536(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.4019e-01 1.R26 H = 8.022(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.2081e-01 1.R26 N = 115.905(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.8346e-01 1.G27 C = 172.648(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.1569e-01 1.G27 CA = 45.330(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8809e-01 1.G27 H = 8.575(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.0623e-01 1.G27 N = 109.295(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2281e-01 1.V28 C = 173.185(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.9999e-01 1.V28 CA = 58.589(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7257e-01 1.V28 H = 7.074(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9536e-02 1.V28 N = 117.024(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6461e-01 1.L29 C = 175.421(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.2811e-01 1.L29 CA = 53.470(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1279e-01 1.L29 H = 8.247(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7913e-01 1.L29 N = 122.620(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4549e-01 1.T30 C = 176.638(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.3324e-01 1.T30 CA = 57.929(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7569e-02 1.T30 H = 9.008(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1545e-01 1.T30 N = 110.399(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.9049e-01 1.Y31 C = 179.518(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.8514e-02 1.Y31 CA = 62.719(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.7507e-02 1.Y31 H = 8.419(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.9212e-01 1.Y31 N = 120.218(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.4268e-01 1.E32 C = 179.114(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.4983e-01 1.E32 CA = 61.607(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0248e-02 1.E32 H = 9.747(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.6319e-02 1.E32 N = 119.364(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0745e-01 1.E33 C = 178.761(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.3217e-01 1.E33 CA = 58.874(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5715e-01 1.E33 H = 8.591(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5822e-01 1.E33 N = 123.112(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.8285e-01 1.I34 C = 177.335(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.3926e-01 1.I34 CA = 65.766(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2096e-01 1.I34 H = 7.597(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.1518e-01 1.I34 N = 121.121(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.3687e-01 1.A35 C = 181.145(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.0991e-01 1.A35 CA = 55.178(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0334e-01 1.A35 H = 8.273(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0316e-01 1.A35 N = 120.355(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.1671e-01 1.E36 C = 180.088(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.8890e-02 1.E36 CA = 59.513(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.9405e-01 1.E36 H = 8.173(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.9016e-01 1.E36 N = 117.804(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.1019e-01 1.R37 CA = 57.558(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.3301e-01 1.R37 H = 8.010(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.0614e-01 1.R37 N = 117.628(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.8871e-01 1.M38 C = 177.719(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.6151e-01 1.M38 CA = 55.784(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.8377e-01 1.M38 N = 114.776(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.3661e-01 1.S39 C = 175.724(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.2096e-01 1.S39 CA = 61.927(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.2132e-01 1.S39 H = 7.623(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.6547e-01 1.S39 N = 115.944(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2395e-01 1.S40 C = 173.757(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.1585e-01 1.S40 CA = 59.550(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.8844e-01 1.S40 H = 8.016(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.5454e-01 1.S40 N = 115.536(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3260e-01 1.F41 C = 174.746(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.3484e-01 1.F41 CA = 56.958(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.6242e-01 1.F41 H = 7.712(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.6812e-01 1.F41 N = 119.810(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.7831e-01 1.E42 C = 175.256(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.0785e-01 1.E42 CA = 55.976(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.2018e-01 1.E42 H = 8.358(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6215e-01 1.E42 N = 120.922(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4227e-01 1.I43 C = 176.285(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.2076e-01 1.I43 CA = 59.266(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.8178e-01 1.I43 H = 8.082(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7092e-01 1.I43 N = 122.731(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.6649e-01 1.E44 C = 178.197(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.9618e-01 1.E44 CA = 55.850(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.8184e-01 1.E44 H = 8.580(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7176e-01 1.E44 N = 125.713(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4730e-01 1.S45 C = 176.419(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.9559e-01 1.S45 CA = 62.198(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2920e-02 1.S45 H = 8.920(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.7803e-01 1.S45 N = 118.407(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.4567e-01 1.D46 C = 178.606(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.0746e-01 1.D46 CA = 56.851(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.8709e-01 1.D46 H = 8.737(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.6161e-01 1.D46 N = 119.618(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.8919e-01 1.Q47 C = 179.403(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.1270e-01 1.Q47 CA = 58.295(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.2020e-01 1.Q47 H = 7.442(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.8729e-01 1.Q47 N = 119.215(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.5127e-01 1.M48 C = 177.094(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.6188e-01 1.M48 CA = 56.453(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.7776e-01 1.M48 H = 7.725(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.7257e-01 1.M48 N = 121.012(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.9620e-01 1.D49 C = 179.501(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6395e-02 1.D49 CA = 57.794(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.2625e-01 1.D49 H = 8.209(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.6176e-01 1.D49 N = 119.318(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.3004e-01 1.E50 C = 179.028(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.6844e-01 1.E50 CA = 59.351(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3116e-01 1.E50 H = 7.700(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.8561e-01 1.E50 N = 118.946(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.2032e-01 1.Y51 C = 177.583(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.7265e-01 1.Y51 CA = 59.670(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.3952e-01 1.Y51 H = 7.628(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.4316e-01 1.Y51 N = 122.685(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.0622e-01 1.Y52 C = 180.292(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.3960e-02 1.Y52 CA = 58.479(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.8942e-01 1.Y52 H = 8.643(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.5815e-01 1.Y52 N = 118.659(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.5770e-01 1.E53 C = 178.932(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.9031e-01 1.E53 CA = 59.523(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.9185e-01 1.E53 H = 8.126(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2952e-01 1.E53 N = 120.538(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6974e-01 1.F54 C = 177.492(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.9778e-01 1.F54 CA = 60.891(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.7405e-01 1.F54 H = 8.191(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.1442e-01 1.F54 N = 123.449(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.7309e-01 1.L55 C = 179.541(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.9761e-01 1.L55 CA = 58.399(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9200e-01 1.L55 H = 8.600(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6920e-01 1.L55 N = 120.500(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2730e-01 1.G56 C = 178.390(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.6205e-02 1.G56 CA = 47.341(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3733e-01 1.G56 H = 7.804(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1838e-01 1.G56 N = 105.848(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.2335e-01 1.E57 C = 178.362(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.4420e-01 1.E57 CA = 58.741(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9657e-01 1.E57 H = 7.925(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9244e-01 1.E57 N = 123.827(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.6431e-01 1.Q58 C = 175.422(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.4883e-01 1.Q58 CA = 54.390(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.0835e-01 1.Q58 H = 7.523(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.3746e-01 1.Q58 N = 115.538(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.2671e-01 1.G59 C = 173.835(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8515e-01 1.G59 CA = 45.503(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0910e-01 1.G59 H = 7.660(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0265e-01 1.G59 N = 106.787(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.5630e-01 1.V60 C = 174.634(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.0380e-01 1.V60 CA = 61.836(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.1912e-01 1.V60 H = 7.762(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.3066e-01 1.V60 N = 122.173(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2001e-01 1.E61 C = 173.898(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.2748e-01 1.E61 CA = 55.954(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1338e-01 1.E61 H = 7.861(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2666e-01 1.E61 N = 128.434(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5679e-02 1.L62 C = 176.823(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3278e-01 1.L62 CA = 53.111(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3882e-01 1.L62 H = 7.841(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.4953e-01 1.L62 N = 124.420(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.1156e-01 1.I63 C = 174.724(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.5757e-01 1.I63 CA = 58.811(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9630e-01 1.I63 H = 7.838(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.1569e-01 1.I63 N = 117.459(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.4988e-01 1.S64 C = 175.706(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.2778e-01 1.S64 CA = 56.886(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.7562e-01 1.S64 H = 8.613(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7248e-01 1.S64 N = 116.102(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5967e-01 1.E65 C = 176.468(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.3667e-01 1.E65 CA = 57.799(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.1872e-01 1.E65 H = 9.760(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.5362e-02 1.E65 N = 127.197(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0714e-02 1.N66 C = 175.144(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.4388e-01 1.N66 CA = 53.168(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.4314e-01 1.N66 H = 8.400(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.2413e-01 1.N66 N = 118.025(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.2232e-01 1.E67 C = 176.580(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.8178e-01 1.E67 CA = 56.895(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.3886e-01 1.E67 H = 8.258(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0287e-01 1.E67 N = 121.192(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8076e-01 1.E68 C = 176.748(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.5011e-01 1.E68 CA = 56.768(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.9169e-01 1.E68 H = 8.368(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4865e-01 1.E68 N = 121.610(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8707e-01 1.T69 C = 174.654(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.4836e-01 1.T69 CA = 61.918(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0718e-01 1.T69 H = 8.072(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.8642e-01 1.T69 N = 114.690(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.7786e-01 1.E70 C = 176.070(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.8162e-01 1.E70 CA = 56.866(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.2803e-01 1.E70 H = 8.381(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3112e-01 1.E70 N = 122.921(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.1774e-01 1.D71 C = 176.467(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.6946e-01 1.D71 CA = 53.958(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.1840e-01 1.D71 H = 8.331(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7112e-01 1.D71 N = 121.243(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7790e-01 1.L72 C = 178.066(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.8683e-01 1.L72 CA = 56.178(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9334e-01 1.L72 H = 8.167(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2279e-01 1.L72 N = 122.484(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7288e-01 1.E73 CA = 57.029(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.8927e-01 1.E73 H = 8.226(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6008e-01 1.E73 N = 118.596(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5119e-01 1.H74 H = 7.993(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.1643e-01 1.H74 N = 117.038(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.0733e-01 1.H75 H = 8.226(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.8357e-01 1.H75 N = 118.596(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.8447e-01 1.H76 H = 8.478(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.2634e-01 1.H76 N = 119.515(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.6510e-01 1.H77 H = 8.189(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.4021e-01 1.H77 N = 125.326(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.5883e-01