Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.P1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.27 T 0.26 I 0.21 P 0.15 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 178.39(D) CA :: 62.39(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.Q2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 H 0.11 Q 0.1 L 0.1 R 0.09 K 0.09 E 0.07 W 0.07 D 0.06 F 0.05 Y 0.05 N 0.02 A 0.01 C Shift Assignments>> C :: 175.66(D) CA :: 56.14(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 :: 8.83(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.67(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 T 0.21 V 0.2 F 0.06 Y 0.06 P 0.05 W 0.05 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 176.16(D) CA :: 61.23(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 :: 8.36(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 :: 123.2(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.24 V 0.23 P 0.08 F 0.04 Y 0.04 W 0.03 C Shift Assignments>> C :: 174.15(D) CA :: 61.78(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 :: 8.24(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.48(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 N 0.05 E 0.05 A 0.04 F 0.04 Y 0.04 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> C :: 176.73(D) CA :: 55.28(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 :: 8.23(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 :: 125.47(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 K 0.11 W 0.1 R 0.1 H 0.09 Q 0.09 F 0.09 Y 0.08 M 0.07 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 175.78(D) CA :: 57.22(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.03(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.89(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 L 0.12 H 0.1 Q 0.1 R 0.09 K 0.08 D 0.07 E 0.06 W 0.06 F 0.05 Y 0.04 N 0.02 A 0.02 C Shift Assignments>> C :: 175.56(D) CA :: 55.88(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 :: 7.97(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 :: 123.5(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.15 A 0.12 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 HN Overlap>> 1.A28 1.A28 C Shift Assignments>> CA :: 54.24(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 :: 8.11(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 :: 123.6(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.P9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.26 V 0.26 T 0.23 I 0.18 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.64(D) CA :: 63.06(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 D 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 W 0.05 E 0.05 F 0.04 N 0.04 Y 0.04 A 0.03 HN Overlap>> 1.K70 1.K70 C Shift Assignments>> C :: 177.38(D) CA :: 55.46(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 :: 8.3(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 :: 122.88(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.27 V 0.25 I 0.23 P 0.12 F 0.03 Y 0.02 W 0.02 C Shift Assignments>> C :: 176.01(D) CA :: 62.2(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 :: 8.1(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 :: 121.17(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 T 0.25 V 0.23 P 0.09 F 0.04 Y 0.04 W 0.03 C Shift Assignments>> C :: 174.24(D) CA :: 61.83(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 :: 8.23(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.8(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 T 0.19 V 0.18 F 0.07 Y 0.07 W 0.05 P 0.03 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 HN Overlap>> 1.I62 1.I62 C Shift Assignments>> C :: 175.72(D) CA :: 61.02(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 :: 8.17(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 :: 123.85(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 L 0.12 H 0.1 Q 0.1 R 0.09 K 0.08 D 0.07 E 0.06 W 0.06 F 0.05 Y 0.04 N 0.02 A 0.02 C Shift Assignments>> C :: 175.95(D) CA :: 55.88(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 :: 8.39(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 :: 125.68(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.I15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.21 V 0.2 F 0.06 Y 0.06 P 0.05 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 176.78(D) CA :: 61.3(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 :: 8.29(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 :: 123.33(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G16 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 :: 174.74(D) CA :: 45.5(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.55(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.63(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G17 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 :: 174.25(D) CA :: 45.45(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.32(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.83(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 L 0.11 H 0.1 Q 0.1 R 0.09 K 0.08 E 0.06 W 0.06 D 0.06 F 0.05 Y 0.05 N 0.02 A 0.01 C Shift Assignments>> C :: 176.12(D) CA :: 56.01(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 :: 8.3(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 :: 119.87(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>> L 0.14 M 0.11 D 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 W 0.05 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 C Shift Assignments>> C :: 177.44(D) CA :: 55.51(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 :: 8.31(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 :: 123.49(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.11 Q 0.11 H 0.1 K 0.1 M 0.09 E 0.09 W 0.08 L 0.07 F 0.07 Y 0.06 D 0.03 N 0.01 C Shift Assignments>> C :: 176.68(D) CA :: 56.73(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 :: 8.31(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 :: 122.31(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.11 R 0.11 E 0.1 Q 0.1 H 0.1 W 0.09 M 0.08 F 0.07 Y 0.07 L 0.06 D 0.03 C Shift Assignments>> C :: 176.34(D) CA :: 56.97(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 :: 8.37(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 :: 121.62(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 R 0.03 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 177.71(D) CA :: 52.75(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.26(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.62(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.07 N 0.05 W 0.05 E 0.05 A 0.04 F 0.04 Y 0.04 C Shift Assignments>> C :: 177.42(D) CA :: 55.27(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 :: 8.12(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 :: 120.84(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 N 0.05 E 0.05 F 0.04 A 0.04 Y 0.04 HN Overlap>> 1.W42 1.W42 1.I66 1.L89 1.I66 1.L89 C Shift Assignments>> C :: 177.13(D) CA :: 55.29(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 :: 8.1(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 :: 122.16(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.26 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.N88 1.N88 C Shift Assignments>> C :: 175.51(D) CA :: 53.26(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 :: 8.42(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 :: 119.52(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.27 V 0.25 I 0.24 P 0.11 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 175.31(D) CA :: 62.09(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 :: 8.14(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 :: 113.66(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 173.98(D) CA :: 45.42(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.46(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.18(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 R 0.02 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.R8 1.R8 C Shift Assignments>> C :: 177.49(D) CA :: 52.65(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.13(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.71(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.13 L 0.11 A 0.1 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 176.1(D) CA :: 54.36(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 :: 8.32(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 :: 119.31(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 L 0.11 N 0.1 M 0.09 A 0.08 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.64(D) CA :: 54.62(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 :: 8.29(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 :: 120.93(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 T 0.24 P 0.22 I 0.19 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 174.77(D) CA :: 62.82(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 :: 8.15(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 :: 114.4(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 T 0.24 P 0.2 I 0.19 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.23(D) CA :: 62.74(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 :: 8.03(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 :: 122.66(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 HN Overlap>> 1.L5 1.L5 C Shift Assignments>> C :: 177.57(D) CA :: 55.55(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 :: 8.2(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 :: 125.55(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.11 R 0.11 E 0.1 Q 0.1 H 0.1 W 0.09 M 0.08 F 0.08 Y 0.07 L 0.06 D 0.03 I 0.01 C Shift Assignments>> C :: 176.69(D) CA :: 57(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 :: 8.34(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 :: 121.51(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.11 R 0.11 Q 0.1 H 0.1 E 0.1 W 0.09 M 0.08 F 0.07 Y 0.07 L 0.06 D 0.03 HN Overlap>> 1.D60 1.D60 1.K45 1.K45 C Shift Assignments>> C :: 176.61(D) CA :: 56.93(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 :: 8.35(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 :: 121.26(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 L 0.12 H 0.1 Q 0.1 R 0.09 K 0.08 D 0.07 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.02 A 0.02 C Shift Assignments>> C :: 175.87(D) CA :: 55.86(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 :: 8.26(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.31(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.29 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.D29 1.D29 C Shift Assignments>> C :: 174.6(D) CA :: 53.13(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 :: 8.38(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 :: 119.36(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.25 N 0.25 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.33(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 :: 8.05(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 :: 123.32(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.31 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.56(D) CA :: 63.53(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G40 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 :: 174.17(D) CA :: 45.46(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.38(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.13(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.11 H 0.11 R 0.11 K 0.1 M 0.09 E 0.08 W 0.08 L 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 HN Overlap>> 1.I72 1.I72 1.R87 1.R87 C Shift Assignments>> C :: 176.25(D) CA :: 56.63(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 :: 8.04(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 :: 120.62(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.12 E 0.11 F 0.1 Y 0.1 K 0.1 R 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 D 0.02 I 0.01 V 0.01 HN Overlap>> 1.L24 1.I66 1.L89 1.L24 1.I66 1.L89 C Shift Assignments>> C :: 175.54(D) CA :: 57.54(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.14(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.18(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 D 0.16 A 0.16 L 0.09 M 0.07 H 0.06 R 0.05 Q 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.91(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 :: 7.81(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 :: 124.98(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 P 0.25 T 0.23 I 0.18 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.73(D) CA :: 62.99(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.11 H 0.11 R 0.11 K 0.1 M 0.09 E 0.08 W 0.07 L 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 HN Overlap>> 1.D60 1.E35 1.D60 1.E35 C Shift Assignments>> C :: 176.56(D) CA :: 56.56(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 :: 8.34(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 :: 121.3(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 D 0.1 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.04 A 0.03 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> C :: 175.98(D) CA :: 55.41(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 :: 8.33(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 :: 121.84(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.21 V 0.2 F 0.06 Y 0.06 P 0.05 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 176.63(D) CA :: 61.31(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 :: 8.19(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 :: 122.56(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> C :: 174.52(D) CA :: 45.32(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.49(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.15(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> C :: 174.31(D) CA :: 45.3(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.21(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.74(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 T 0.23 V 0.21 P 0.07 F 0.04 Y 0.04 W 0.03 E 0.01 R 0.01 K 0.01 HN Overlap>> 1.Q61 1.Q61 C Shift Assignments>> C :: 176.97(D) CA :: 61.59(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 :: 8.1(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 :: 119.8(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 HN Overlap>> 1.G73 1.G73 C Shift Assignments>> C :: 174.5(D) CA :: 45.43(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.64(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.77(D) CA :: 45.25(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.12(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.58(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.12 F 0.12 Y 0.12 E 0.11 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 175.55(D) CA :: 57.83(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 :: 8.08(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.01(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I54 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 F 0.08 Y 0.08 W 0.06 P 0.03 E 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 175.65(D) CA :: 60.94(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 :: 8.05(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 :: 122.91(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.1 R 0.1 K 0.09 L 0.08 E 0.08 W 0.07 F 0.06 Y 0.05 D 0.04 N 0.01 A 0.01 HN Overlap>> 1.A71 1.A71 C Shift Assignments>> C :: 176.31(D) CA :: 56.39(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 :: 8.3(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.95(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 T 0.27 I 0.22 P 0.14 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 176(D) CA :: 62.35(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 :: 8.12(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 :: 122.01(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 H 0.1 Q 0.1 L 0.1 R 0.09 K 0.08 E 0.07 W 0.07 D 0.06 F 0.05 Y 0.05 N 0.02 A 0.01 C Shift Assignments>> C :: 175.96(D) CA :: 56.12(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 :: 8.38(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.97(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.Q58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 L 0.11 H 0.1 Q 0.1 R 0.09 K 0.08 E 0.06 D 0.06 W 0.06 F 0.05 Y 0.05 N 0.02 A 0.01 HN Overlap>> 1.M46 1.M46 C Shift Assignments>> C :: 175.67(D) CA :: 55.99(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 :: 8.34(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 :: 121.77(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.13 W 0.12 Y 0.12 E 0.1 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 D 0.01 V 0.01 T 0.01 HN Overlap>> 1.I72 1.V64 1.R87 1.I72 1.V64 1.R87 C Shift Assignments>> C :: 175.55(D) CA :: 57.89(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 :: 8.18(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 :: 120.64(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 N 0.12 L 0.11 A 0.09 M 0.09 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.02 HN Overlap>> 1.E35 1.K45 1.E35 1.K45 C Shift Assignments>> C :: 175.87(D) CA :: 54.48(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 :: 8.3(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 :: 121.28(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 H 0.09 Q 0.09 D 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 HN Overlap>> 1.I50 1.I50 C Shift Assignments>> C :: 175.58(D) CA :: 55.64(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 :: 8.15(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 :: 119.76(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.15 F 0.14 W 0.12 E 0.08 K 0.07 R 0.07 I 0.06 H 0.05 Q 0.05 V 0.04 T 0.04 M 0.04 L 0.02 HN Overlap>> 1.I13 1.I13 C Shift Assignments>> CA :: 58.96(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 :: 8.17(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 :: 123.88(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.31 V 0.25 T 0.21 I 0.17 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.89(D) CA :: 63.28(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 T 0.24 P 0.21 I 0.19 F 0.02 Y 0.01 W 0.01 HN Overlap>> 1.Y59 1.Y59 C Shift Assignments>> C :: 176.28(D) CA :: 62.76(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 :: 8.19(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 :: 120.75(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.11 H 0.11 R 0.11 K 0.1 M 0.09 E 0.08 W 0.08 L 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 C Shift Assignments>> C :: 176.29(D) CA :: 56.62(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 :: 8.5(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 :: 124.1(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 T 0.2 V 0.19 F 0.07 Y 0.07 W 0.05 P 0.04 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 HN Overlap>> 1.W42 1.L24 1.W42 1.L24 1.L89 1.L89 C Shift Assignments>> C :: 176.05(D) CA :: 61.09(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 :: 8.14(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 :: 122.18(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.05 H 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 178.18(D) CA :: 52.88(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.35(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.88(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G68 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 :: 174.03(D) CA :: 45.37(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.34(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.09(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H69 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 0.09 R 0.09 K 0.08 D 0.07 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.03 A 0.02 C Shift Assignments>> C :: 174.78(D) CA :: 55.83(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 :: 8.24(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 :: 118.59(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.11 R 0.1 K 0.09 L 0.08 E 0.07 W 0.07 F 0.06 Y 0.05 D 0.04 N 0.01 A 0.01 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> C :: 176.06(D) CA :: 56.38(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 :: 8.3(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 :: 122.88(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 P 0.01 F 0.01 Y 0.01 HN Overlap>> 1.K55 1.K55 C Shift Assignments>> C :: 177.65(D) CA :: 52.42(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.37(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.93(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 T 0.22 V 0.21 P 0.06 F 0.05 Y 0.05 W 0.04 E 0.01 R 0.01 K 0.01 HN Overlap>> 1.K41 1.R87 1.Y59 1.K41 1.R87 1.Y59 C Shift Assignments>> C :: 176.8(D) CA :: 61.45(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 :: 8.15(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 :: 120.61(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G73 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 HN Overlap>> 1.G86 1.G51 1.G86 1.G51 C Shift Assignments>> C :: 174.14(D) CA :: 45.36(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.45(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.71(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 I 0.24 V 0.24 P 0.11 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 174.42(D) CA :: 62.02(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 :: 8.03(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 :: 114.52(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 T 0.27 I 0.22 P 0.14 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 175.79(D) CA :: 62.35(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 :: 8.18(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 :: 123.19(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.13 M 0.1 H 0.08 Q 0.08 R 0.07 N 0.06 K 0.06 A 0.05 W 0.05 E 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.95(D) CA :: 55.08(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 :: 8.36(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.78(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.27 V 0.25 I 0.23 P 0.12 F 0.03 Y 0.03 W 0.02 HN Overlap>> 1.I84 1.I84 C Shift Assignments>> C :: 176.17(D) CA :: 62.16(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 :: 8.11(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 :: 121.57(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.31 G 0.21 D 0.04 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.89(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.28(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.86(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 P 0.25 T 0.23 I 0.18 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.08(D) CA :: 63.01(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.T80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 T 0.12 Y 0.12 F 0.12 V 0.12 W 0.09 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 P 0.01 C Shift Assignments>> CA :: 60.15(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 :: 8.3(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 :: 117.61(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.31 V 0.25 T 0.21 I 0.17 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.88(D) CA :: 63.28(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.V82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.28 T 0.25 I 0.2 P 0.17 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 175.87(D) CA :: 62.53(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 :: 8.19(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 :: 119.97(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.28 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 174.89(D) CA :: 53.18(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 :: 8.42(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 :: 121.93(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.21 V 0.2 F 0.06 Y 0.06 P 0.05 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 HN Overlap>> 1.V77 1.V77 C Shift Assignments>> C :: 176.2(D) CA :: 61.3(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 :: 8.08(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 :: 121.55(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 T 0.23 V 0.21 P 0.07 F 0.05 Y 0.05 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 176.83(D) CA :: 61.55(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 :: 8.15(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.78(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 HN Overlap>> 1.G73 1.G73 C Shift Assignments>> C :: 174.2(D) CA :: 45.52(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.41(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 R 0.1 M 0.1 K 0.09 E 0.08 L 0.08 W 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 A 0.01 HN Overlap>> 1.I72 1.K41 1.I72 1.K41 1.Y59 1.Y59 C Shift Assignments>> C :: 176.15(D) CA :: 56.48(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 :: 8.15(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 :: 120.61(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.N88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 A 0.22 D 0.14 L 0.08 M 0.06 H 0.04 R 0.04 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 HN Overlap>> 1.N25 1.N25 C Shift Assignments>> C :: 175.2(D) CA :: 53.49(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 :: 8.5(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 :: 119.46(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 H 0.09 Q 0.09 D 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.03 HN Overlap>> 1.W42 1.L24 1.I66 1.W42 1.L24 1.I66 C Shift Assignments>> C :: 177.54(D) CA :: 55.61(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 :: 8.18(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 :: 122.23(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 C Shift Assignments>> C :: 177.69(D) CA :: 55.55(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 :: 8.2(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 :: 121.82(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.26 I 0.25 V 0.24 P 0.1 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 174.48(D) CA :: 62.01(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.93(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 :: 113.8(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q92 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 0.09 R 0.09 K 0.08 D 0.07 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.02 A 0.02 C Shift Assignments>> C :: 175.83(D) CA :: 55.85(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 :: 8.29(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.65(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 T 0.23 V 0.21 P 0.07 F 0.04 Y 0.04 W 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 176.78(D) CA :: 61.6(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 :: 8.18(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 :: 122.36(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G94 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 :: 172.97(D) CA :: 45.34(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.46(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.74(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 A 0.16 D 0.16 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.9(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.83(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.41(D) Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 95 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 95 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 183 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 88 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 88 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P1 C = 178.39(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.7744e-01 1.P1 CA = 62.39(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.3630e-01 1.Q2 C = 175.66(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.3888e-01 1.Q2 CA = 56.14(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.4075e-01 1.Q2 H = 8.83(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.0118e-01 1.Q2 N = 120.67(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2847e-01 1.I3 C = 176.16(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.7173e-01 1.I3 CA = 61.23(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.8725e-01 1.I3 H = 8.36(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.0635e-01 1.I3 N = 123.2(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8434e-01 1.T4 C = 174.15(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.2463e-01 1.T4 CA = 61.78(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.6510e-01 1.T4 H = 8.24(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.0000e+00 1.T4 N = 119.48(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.9270e-01 1.L5 C = 176.73(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.9553e-01 1.L5 CA = 55.28(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.7318e-01 1.L5 H = 8.23(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0000e+00 1.L5 N = 125.47(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5463e-01 1.W6 C = 175.78(D), Expected = 176.12, Std = 2.0100, ChiSquare = 8.6568e-01 1.W6 CA = 57.22(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.6458e-01 1.W6 H = 8.03(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.4207e-01 1.W6 N = 121.89(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.5993e-01 1.K7 C = 175.56(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.8920e-01 1.K7 CA = 55.88(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.2671e-01 1.K7 H = 7.97(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1387e-01 1.K7 N = 123.5(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1578e-01 1.R8 CA = 54.24(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7341e-01 1.R8 H = 8.11(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3124e-01 1.R8 N = 123.6(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.4674e-01 1.P9 C = 176.64(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.4193e-01 1.P9 CA = 63.06(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5901e-01 1.L10 C = 177.38(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.4385e-01 1.L10 CA = 55.46(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.4012e-01 1.L10 H = 8.3(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1424e-01 1.L10 N = 122.88(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.9368e-01 1.V11 C = 176.01(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.3737e-01 1.V11 CA = 62.2(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1923e-01 1.V11 H = 8.1(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.7673e-01 1.V11 N = 121.17(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9473e-01 1.T12 C = 174.24(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6465e-01 1.T12 CA = 61.83(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8031e-01 1.T12 H = 8.23(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.8713e-01 1.T12 N = 118.8(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.7673e-01 1.I13 C = 175.72(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.4602e-01 1.I13 CA = 61.02(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.2575e-01 1.I13 H = 8.17(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.7149e-01 1.I13 N = 123.85(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.7656e-01 1.R14 C = 175.95(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.2073e-01 1.R14 CA = 55.88(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.0003e-01 1.R14 H = 8.39(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.0576e-01 1.R14 N = 125.68(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.8481e-01 1.I15 C = 176.78(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.2812e-01 1.I15 CA = 61.3(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.0791e-01 1.I15 H = 8.29(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.8827e-01 1.I15 N = 123.33(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.6217e-01 1.G16 C = 174.74(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4353e-01 1.G16 CA = 45.5(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G16 H = 8.55(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3502e-01 1.G16 N = 113.63(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.0619e-01 1.G17 C = 174.25(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.3982e-01 1.G17 CA = 45.45(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4051e-01 1.G17 H = 8.32(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8773e-01 1.G17 N = 108.83(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2817e-01 1.Q18 C = 176.12(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.2238e-01 1.Q18 CA = 56.01(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.9357e-01 1.Q18 H = 8.3(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.9214e-01 1.Q18 N = 119.87(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9557e-01 1.L19 C = 177.44(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.2021e-01 1.L19 CA = 55.51(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5881e-01 1.L19 H = 8.31(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0205e-01 1.L19 N = 123.49(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7598e-01 1.K20 C = 176.68(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.8404e-01 1.K20 CA = 56.73(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.2034e-01 1.K20 H = 8.31(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4148e-01 1.K20 N = 122.31(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3822e-01 1.E21 C = 176.34(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.8578e-01 1.E21 CA = 56.97(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.6701e-01 1.E21 H = 8.37(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4595e-01 1.E21 N = 121.62(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8486e-01 1.A22 C = 177.71(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.8876e-01 1.A22 CA = 52.75(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.4385e-01 1.A22 H = 8.26(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2034e-01 1.A22 N = 124.62(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.9457e-01 1.L23 C = 177.42(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.2807e-01 1.L23 CA = 55.27(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.6948e-01 1.L23 H = 8.12(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6562e-01 1.L23 N = 120.84(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.9368e-01 1.L24 C = 177.13(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.4363e-01 1.L24 CA = 55.29(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.7688e-01 1.L24 H = 8.1(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4148e-01 1.L24 N = 122.16(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3868e-01 1.N25 C = 175.51(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.9334e-01 1.N25 CA = 53.26(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.8160e-01 1.N25 H = 8.42(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9895e-01 1.N25 N = 119.52(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.8360e-01 1.T26 C = 175.31(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.6175e-01 1.T26 CA = 62.09(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5997e-01 1.T26 H = 8.14(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.7186e-01 1.T26 N = 113.66(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.1099e-01 1.G27 C = 173.98(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5334e-01 1.G27 CA = 45.42(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5834e-01 1.G27 H = 8.46(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4148e-01 1.G27 N = 111.18(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9640e-01 1.A28 C = 177.49(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.0657e-01 1.A28 CA = 52.65(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0454e-01 1.A28 H = 8.13(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0712e-01 1.A28 N = 123.71(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9214e-01 1.D29 C = 176.1(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.6389e-01 1.D29 CA = 54.36(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.7086e-01 1.D29 H = 8.32(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8624e-01 1.D29 N = 119.31(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2848e-01 1.D30 C = 176.64(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.9092e-01 1.D30 CA = 54.62(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.7249e-01 1.D30 H = 8.29(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7249e-01 1.D30 N = 120.93(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.4217e-01 1.T31 C = 174.77(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.9603e-01 1.T31 CA = 62.82(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1680e-01 1.T31 H = 8.15(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8458e-01 1.T31 N = 114.4(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2997e-01 1.V32 C = 176.23(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4817e-01 1.V32 CA = 62.74(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3034e-01 1.V32 H = 8.03(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9797e-01 1.V32 N = 122.66(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3777e-01 1.L33 C = 177.57(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.6958e-01 1.L33 CA = 55.55(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7378e-01 1.L33 H = 8.2(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6319e-01 1.L33 N = 125.55(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.4407e-01 1.E34 C = 176.69(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.2645e-01 1.E34 CA = 57(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.7831e-01 1.E34 H = 8.34(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8648e-01 1.E34 N = 121.51(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.0926e-01 1.E35 C = 176.61(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.9393e-01 1.E35 CA = 56.93(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5197e-01 1.E35 H = 8.35(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7296e-01 1.E35 N = 121.26(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6537e-01 1.M36 C = 175.87(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.8209e-01 1.M36 CA = 55.86(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.1074e-01 1.M36 H = 8.26(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.0000e+00 1.M36 N = 120.31(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.5086e-01 1.N37 C = 174.6(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.0818e-01 1.N37 CA = 53.13(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.2736e-01 1.N37 H = 8.38(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.4937e-01 1.N37 N = 119.36(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1503e-01 1.L38 CA = 53.33(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8232e-01 1.L38 H = 8.05(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8184e-01 1.L38 N = 123.32(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0814e-01 1.P39 C = 177.56(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.9167e-01 1.P39 CA = 63.53(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.9532e-01 1.G40 C = 174.17(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7322e-01 1.G40 CA = 45.46(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3458e-01 1.G40 H = 8.38(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3868e-01 1.G40 N = 109.13(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8903e-01 1.K41 C = 176.25(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.4539e-01 1.K41 CA = 56.63(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.8435e-01 1.K41 H = 8.04(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0259e-01 1.K41 N = 120.62(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0919e-01 1.W42 C = 175.54(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.7292e-01 1.W42 CA = 57.54(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.6290e-01 1.W42 H = 8.14(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.4941e-01 1.W42 N = 122.18(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.0479e-01 1.K43 CA = 53.91(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.6703e-01 1.K43 H = 7.81(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.2652e-01 1.K43 N = 124.98(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.9721e-01 1.P44 C = 176.73(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.8943e-01 1.P44 CA = 62.99(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.2300e-01 1.K45 C = 176.56(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.6809e-01 1.K45 CA = 56.56(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5929e-01 1.K45 H = 8.34(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0259e-01 1.K45 N = 121.3(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4713e-01 1.M46 C = 175.98(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.2376e-01 1.M46 CA = 55.41(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.5360e-01 1.M46 H = 8.33(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.0712e-01 1.M46 N = 121.84(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.2399e-01 1.I47 C = 176.63(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.8456e-01 1.I47 CA = 61.31(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.1087e-01 1.I47 H = 8.19(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.9471e-01 1.I47 N = 122.56(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.9717e-01 1.G48 C = 174.52(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2953e-01 1.G48 CA = 45.32(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8214e-01 1.G48 H = 8.49(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0556e-01 1.G48 N = 113.15(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6853e-01 1.G49 C = 174.31(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1495e-01 1.G49 CA = 45.3(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G49 H = 8.21(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5353e-01 1.G49 N = 108.74(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1009e-01 1.I50 C = 176.97(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.5967e-01 1.I50 CA = 61.59(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9405e-01 1.I50 H = 8.1(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.9124e-01 1.I50 N = 119.8(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.9813e-01 1.G51 C = 174.5(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.3754e-01 1.G51 CA = 45.43(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5239e-01 1.G51 H = 8.5(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9368e-01 1.G51 N = 112.64(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.4282e-01 1.G52 C = 173.77(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5758e-01 1.G52 CA = 45.25(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4051e-01 1.G52 H = 8.12(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4664e-01 1.G52 N = 108.58(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7821e-01 1.F53 C = 175.55(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.4791e-01 1.F53 CA = 57.83(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.2251e-01 1.F53 H = 8.08(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.9736e-01 1.F53 N = 120.01(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1617e-01 1.I54 C = 175.65(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1704e-01 1.I54 CA = 60.94(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.0259e-01 1.I54 H = 8.05(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.3519e-01 1.I54 N = 122.91(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.3477e-01 1.K55 C = 176.31(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.6894e-01 1.K55 CA = 56.39(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9907e-01 1.K55 H = 8.3(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.5454e-01 1.K55 N = 125.95(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.9369e-01 1.V56 C = 176(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.4148e-01 1.V56 CA = 62.35(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6096e-01 1.V56 H = 8.12(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9970e-01 1.V56 N = 122.01(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4803e-01 1.R57 C = 175.96(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.2457e-01 1.R57 CA = 56.12(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.7841e-01 1.R57 H = 8.38(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.1847e-01 1.R57 N = 124.97(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.5715e-01 1.Q58 C = 175.67(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.4276e-01 1.Q58 CA = 55.99(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8637e-01 1.Q58 H = 8.34(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.3883e-01 1.Q58 N = 121.77(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.0152e-01 1.Y59 C = 175.55(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.3992e-01 1.Y59 CA = 57.89(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.2382e-01 1.Y59 H = 8.18(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.4791e-01 1.Y59 N = 120.64(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.7721e-01 1.D60 C = 175.87(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6200e-01 1.D60 CA = 54.48(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.1761e-01 1.D60 H = 8.3(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8624e-01 1.D60 N = 121.28(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7035e-01 1.Q61 C = 175.58(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.0814e-01 1.Q61 CA = 55.64(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.6387e-01 1.Q61 H = 8.15(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.0556e-01 1.Q61 N = 119.76(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.7119e-01 1.I62 CA = 58.96(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.2276e-01 1.I62 H = 8.17(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.7149e-01 1.I62 N = 123.88(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.7179e-01 1.P63 C = 176.89(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.2613e-01 1.P63 CA = 63.28(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.7376e-01 1.V64 C = 176.28(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.2831e-01 1.V64 CA = 62.76(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.2479e-01 1.V64 H = 8.19(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8135e-01 1.V64 N = 120.75(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3154e-01 1.E65 C = 176.29(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.6613e-01 1.E65 CA = 56.62(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.3768e-01 1.E65 H = 8.5(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.7324e-01 1.E65 N = 124.1(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2431e-01 1.I66 C = 176.05(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1704e-01 1.I66 CA = 61.09(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.4615e-01 1.I66 H = 8.14(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.3688e-01 1.I66 N = 122.18(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6641e-01 1.A67 C = 178.18(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.3634e-01 1.A67 CA = 52.88(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.9553e-01 1.A67 H = 8.35(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0259e-01 1.A67 N = 127.88(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.8899e-01 1.G68 C = 174.03(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3218e-01 1.G68 CA = 45.37(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8809e-01 1.G68 H = 8.34(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8773e-01 1.G68 N = 108.09(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8308e-01 1.H69 C = 174.78(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.1143e-01 1.H69 CA = 55.83(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.6517e-01 1.H69 H = 8.24(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.0000e+00 1.H69 N = 118.59(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.8332e-01 1.K70 C = 176.06(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.7182e-01 1.K70 CA = 56.38(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9556e-01 1.K70 H = 8.3(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.5454e-01 1.K70 N = 122.88(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2738e-01 1.A71 C = 177.65(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6630e-01 1.A71 CA = 52.42(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.1613e-01 1.A71 H = 8.37(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7692e-01 1.A71 N = 125.93(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4564e-01 1.I72 C = 176.8(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.2075e-01 1.I72 CA = 61.45(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.5239e-01 1.I72 H = 8.15(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.4839e-01 1.I72 N = 120.61(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.4258e-01 1.G73 C = 174.14(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.8580e-01 1.G73 CA = 45.36(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9405e-01 1.G73 H = 8.45(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5353e-01 1.G73 N = 112.71(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.3214e-01 1.T74 C = 174.42(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.4564e-01 1.T74 CA = 62.02(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3845e-01 1.T74 H = 8.03(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.3483e-01 1.T74 N = 114.52(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4972e-01 1.V75 C = 175.79(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.2871e-01 1.V75 CA = 62.35(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6096e-01 1.V75 H = 8.18(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.6959e-01 1.V75 N = 123.19(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5160e-01 1.L76 C = 176.95(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.8388e-01 1.L76 CA = 55.08(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9987e-01 1.L76 H = 8.36(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4148e-01 1.L76 N = 126.78(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0711e-01 1.V77 C = 176.17(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.7222e-01 1.V77 CA = 62.16(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.0814e-01 1.V77 H = 8.11(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.8819e-01 1.V77 N = 121.57(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2454e-01 1.G78 CA = 43.89(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.7591e-01 1.G78 H = 8.28(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3868e-01 1.G78 N = 112.86(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0978e-01 1.P79 C = 177.08(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.2701e-01 1.P79 CA = 63.01(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.3326e-01 1.T80 CA = 60.15(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.2416e-01 1.T80 H = 8.3(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2291e-01 1.T80 N = 117.61(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4476e-01 1.P81 C = 176.88(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.3139e-01 1.P81 CA = 63.28(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.7376e-01 1.V82 C = 175.87(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.9532e-01 1.V82 CA = 62.53(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8884e-01 1.V82 H = 8.19(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8135e-01 1.V82 N = 119.97(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9663e-01 1.N83 C = 174.89(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.3188e-01 1.N83 CA = 53.18(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.4814e-01 1.N83 H = 8.42(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9895e-01 1.N83 N = 121.93(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.5662e-01 1.I84 C = 176.2(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.5535e-01 1.I84 CA = 61.3(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.0791e-01 1.I84 H = 8.08(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.6867e-01 1.I84 N = 121.55(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.8322e-01 1.I85 C = 176.83(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.0976e-01 1.I85 CA = 61.55(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.8214e-01 1.I85 H = 8.15(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.4839e-01 1.I85 N = 124.78(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.3793e-01 1.G86 C = 174.2(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6066e-01 1.G86 CA = 45.52(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9905e-01 1.G86 H = 8.41(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.0205e-01 1.G86 N = 112.8(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1864e-01 1.R87 C = 176.15(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.9809e-01 1.R87 CA = 56.48(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.0010e-01 1.R87 H = 8.15(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.8271e-01 1.R87 N = 120.61(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.5882e-01 1.N88 C = 175.2(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6881e-01 1.N88 CA = 53.49(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7878e-01 1.N88 H = 8.5(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.9952e-01 1.N88 N = 119.46(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.9537e-01 1.L89 C = 177.54(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.8118e-01 1.L89 CA = 55.61(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9625e-01 1.L89 H = 8.18(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3868e-01 1.L89 N = 122.23(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2442e-01 1.L90 C = 177.69(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.2369e-01 1.L90 CA = 55.55(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7378e-01 1.L90 H = 8.2(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6319e-01 1.L90 N = 121.82(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9182e-01 1.T91 C = 174.48(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.7280e-01 1.T91 CA = 62.01(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3538e-01 1.T91 H = 7.93(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.1707e-01 1.T91 N = 113.8(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.3306e-01 1.Q92 C = 175.83(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.0556e-01 1.Q92 CA = 55.85(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3653e-01 1.Q92 H = 8.29(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.0556e-01 1.Q92 N = 122.65(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.4328e-01 1.I93 C = 176.78(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.2812e-01 1.I93 CA = 61.6(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9702e-01 1.I93 H = 8.18(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8309e-01 1.I93 N = 122.36(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.3345e-01 1.G94 C = 172.97(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.3214e-01 1.G94 CA = 45.34(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9405e-01 1.G94 H = 8.46(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4148e-01 1.G94 N = 113.74(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9295e-01 1.A95 CA = 53.9(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.0110e-01 1.A95 H = 7.83(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3745e-01 1.A95 N = 129.41(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.0852e-02