Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.18 E 0.16 W 0.16 Q 0.14 C 0.14 M 0.1 K 0.07 C Shift Assignments>> C :: 172.88(D) CA :: 56.24(D) CB :: 30.44(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) 1.A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.07 C 0.01 C Shift Assignments>> C :: 174.71(D) CA :: 52.26(D) CB :: 19.36(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.445(D) HA :: 4.249(D) HB1 :: 1.295(D) HB2 :: 1.295(D) HB3 :: 1.295(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.80(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 170.40(D) CA :: 56.26(D) CB :: 63.29(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.336(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 :: 116.79(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.43 V 0.38 C 0.12 W 0.01 I 0.01 C Shift Assignments>> C :: 174.52(D) CA :: 63.56(D) CB :: 32.04(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) H Shift Assignments>> HA :: 4.384(D) HB2 :: 1.883(D) HB3 :: 2.243(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.15(D) CA :: 58.64(D) CB :: 63.65(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.283(D) HA :: 4.325(D) HB2 :: 3.790(D) HB3 :: 3.790(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 :: 115.53(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.17 W 0.16 R 0.16 C 0.15 Q 0.14 K 0.09 M 0.07 I 0.01 C Shift Assignments>> C :: 174.24(D) CA :: 56.96(D) CB :: 30.18(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 :: 8.269(D) HA :: 4.208(D) HB2 :: 1.899(D) HB3 :: 2.000(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 :: 122.68(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 171.37(D) CA :: 45.36(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.283(D) HA2 :: 3.867(D) HA3 :: 3.867(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.14(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.63 C 0.28 R 0.03 G 0.02 A 0.01 C Shift Assignments>> C :: 174.83(D) CA :: 55.36(D) CB :: 42.49(D) CG :: 26.87(D) CD1 :: 23.58(D) CD2 :: 24.88(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 :: 7.985(D) HA :: 4.309(D) HB2 :: 1.521(D) HB3 :: 1.578(D) HG :: 1.521(D) HD11 :: 0.786(D) HD12 :: 0.786(D) HD13 :: 0.786(D) HD21 :: 0.838(D) HD22 :: 0.838(D) HD23 :: 0.838(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 :: 121.30(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.68(D) CA :: 62.15(D) CB :: 69.72(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 :: 8.067(D) HA :: 4.229(D) HB :: 4.079(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 :: 115.35(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 173.21(D) CA :: 61.04(D) CB :: 38.55(D) CG1 :: 27.24(D) CG2 :: 17.45(D) CD1 :: 12.77(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 :: 8.033(D) HA :: 4.049(D) HB :: 1.746(D) HG12 :: 1.076(D) HG13 :: 1.360(D) HG21 :: 0.783(D) HG22 :: 0.783(D) HG23 :: 0.783(D) HD11 :: 0.749(D) HD12 :: 0.749(D) HD13 :: 0.749(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 :: 123.42(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 C 0.15 W 0.14 E 0.14 Q 0.12 M 0.12 K 0.09 C Shift Assignments>> C :: 173.41(D) CA :: 55.97(D) CB :: 30.81(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 :: 8.269(D) HA :: 4.301(D) HB2 :: 1.665(D) HB3 :: 1.735(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 :: 125.30(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.V13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 173.25(D) CA :: 62.26(D) CB :: 32.75(D) CG1 :: 20.41(D) CG2 :: 20.96(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 :: 8.062(D) HA :: 3.991(D) HB :: 1.937(D) HG11 :: 0.826(D) HG12 :: 0.826(D) HG13 :: 0.826(D) HG21 :: 0.826(D) HG22 :: 0.826(D) HG23 :: 0.826(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 :: 121.59(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.2 Q 0.18 C 0.18 R 0.08 W 0.05 E 0.03 V 0.02 C Shift Assignments>> C :: 173.42(D) CA :: 56.41(D) CB :: 33.14(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 :: 8.308(D) HA :: 4.200(D) HB2 :: 1.682(D) HB3 :: 1.682(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 :: 124.86(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 D 0.19 C 0.1 F 0.08 L 0.05 C Shift Assignments>> C :: 172.48(D) CA :: 53.28(D) CB :: 38.79(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 :: 8.404(D) HA :: 4.612(D) HB2 :: 2.688(D) HB3 :: 2.688(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.37(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 173.05(D) CA :: 62.41(D) CB :: 32.64(D) CG1 :: 20.96(D) CG2 :: 20.41(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 :: 8.051(D) HA :: 4.020(D) HB :: 1.996(D) HG11 :: 0.827(D) HG12 :: 0.827(D) HG13 :: 0.827(D) HG21 :: 0.827(D) HG22 :: 0.827(D) HG23 :: 0.827(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.19(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.17 C 0.1 F 0.07 L 0.04 C Shift Assignments>> C :: 172.80(D) CA :: 53.23(D) CB :: 38.69(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 :: 8.436(D) HA :: 4.627(D) HB2 :: 2.702(D) HB3 :: 2.780(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.13(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 E 0.16 W 0.16 C 0.15 Q 0.14 M 0.09 K 0.07 C Shift Assignments>> C :: 173.50(D) CA :: 56.47(D) CB :: 30.41(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 :: 8.342(D) HA :: 4.177(D) HB2 :: 1.648(D) HB3 :: 1.758(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 :: 122.23(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.N19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.53 D 0.18 C 0.11 F 0.08 L 0.05 M 0.01 C Shift Assignments>> C :: 172.54(D) CA :: 53.48(D) CB :: 38.70(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 :: 8.347(D) HA :: 4.538(D) HB2 :: 2.655(D) HB3 :: 2.655(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 :: 119.13(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 175.10(D) CA :: 52.83(D) CB :: 19.17(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.127(D) HA :: 4.202(D) HB1 :: 1.281(D) HB2 :: 1.281(D) HB3 :: 1.281(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.24(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.94(D) CA :: 58.60(D) CB :: 63.75(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.127(D) HA :: 4.297(D) HB2 :: 3.782(D) HB3 :: 3.782(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.69(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 W 0.15 E 0.15 R 0.15 K 0.14 C 0.13 M 0.06 I 0.01 C Shift Assignments>> C :: 173.39(D) CA :: 55.98(D) CB :: 29.62(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.949(D) HA :: 4.021(D) HB2 :: 1.001(D) HB3 :: 1.001(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 :: 122.48(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.K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 M 0.2 K 0.2 C 0.19 R 0.07 W 0.04 E 0.02 V 0.02 C Shift Assignments>> C :: 173.95(D) CA :: 56.79(D) CB :: 33.46(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 :: 8.038(D) HA :: 4.230(D) HB2 :: 1.777(D) HB3 :: 1.777(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 :: 122.89(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 172.05(D) CA :: 61.62(D) CB :: 39.45(D) CG1 :: 27.83(D) CG2 :: 18.80(D) CD1 :: 14.53(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 :: 8.691(D) HA :: 4.275(D) HB :: 1.855(D) HG12 :: 1.053(D) HG13 :: 1.053(D) HG21 :: 0.906(D) HG22 :: 0.906(D) HG23 :: 0.906(D) HD11 :: 0.751(D) HD12 :: 0.751(D) HD13 :: 0.751(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 :: 123.23(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> CA :: 55.95(D) CB :: 64.57(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.495(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.98(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.27 V 0.25 W 0.11 K 0.08 R 0.07 P 0.06 E 0.05 M 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 175.63(D) CA :: 60.52(D) CB :: 32.030(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>> HA :: 3.865(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) 1.R27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.19 E 0.14 R 0.11 Q 0.09 K 0.08 I 0.07 V 0.04 M 0.03 C Shift Assignments>> C :: 175.78(D) CA :: 59.44(D) CB :: 29.91(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 :: 8.387(D) HA :: 3.797(D) HB2 :: 1.603(D) HB3 :: 1.808(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.77(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.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 C 0.38 R 0.01 HN Overlap>> 1.S25 1.S25 C Shift Assignments>> C :: 175.99(D) CA :: 57.52(D) CB :: 42.12(D) CG :: 27.00(D) CD1 :: 24.36(D) CD2 :: 24.43(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 :: 7.476(D) HA :: 3.861(D) HB2 :: 1.446(D) HB3 :: 1.580(D) HG :: 1.245(D) HD11 :: 0.629(D) HD12 :: 0.629(D) HD13 :: 0.629(D) HD21 :: 0.784(D) HD22 :: 0.784(D) HD23 :: 0.784(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.97(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 174.44(D) CA :: 66.29(D) CB :: 38.07(D) CG1 :: 29.39(D) CG2 :: 18.18(D) CD1 :: 14.31(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 :: 7.587(D) HA :: 3.185(D) HB :: 1.711(D) HG21 :: 0.705(D) HG22 :: 0.705(D) HG23 :: 0.705(D) HD11 :: 0.949(D) HD12 :: 0.949(D) HD13 :: 0.949(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 :: 118.31(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 V 0.24 K 0.1 W 0.1 R 0.07 M 0.05 E 0.04 P 0.04 Q 0.03 C Shift Assignments>> C :: 176.21(D) CA :: 60.28(D) CB :: 32.35(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 :: 8.107(D) HA :: 3.689(D) HB2 :: 1.766(D) HB3 :: 1.766(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.95(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.18 E 0.14 K 0.12 Q 0.1 R 0.1 I 0.09 M 0.02 V 0.02 C Shift Assignments>> C :: 177.20(D) CA :: 59.25(D) CB :: 29.40(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 :: 7.763(D) HA :: 3.787(D) HB2 :: 1.966(D) HB3 :: 2.087(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 :: 117.52(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> W 0.19 E 0.18 C 0.17 R 0.15 Q 0.14 M 0.05 K 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 175.30(D) CA :: 57.89(D) CB :: 29.91(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 :: 7.914(D) HA :: 3.723(D) HB2 :: 0.525(S) HB3 :: 1.574(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 :: 120.28(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.48 C 0.47 A 0.03 C Shift Assignments>> C :: 175.33(D) CA :: 56.91(D) CB :: 40.94(D) CD1 :: 26.23(D) CD2 :: 22.15(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 :: 7.774(D) HA :: 4.026(D) HB2 :: 1.542(D) HB3 :: 1.721(D) HD11 :: 0.586(D) HD12 :: 0.586(D) HD13 :: 0.586(D) HD21 :: 0.252(D) HD22 :: 0.252(D) HD23 :: 0.252(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.39(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.2 C 0.17 Q 0.14 R 0.11 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 172.68(D) CA :: 55.55(D) CB :: 32.75(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 :: 7.096(D) HA :: 4.274(D) HB2 :: 1.758(D) HB3 :: 1.900(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 :: 114.75(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.24 N 0.13 K 0.1 F 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 173.18(D) CA :: 53.24(D) CB :: 41.45(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.486(D) HA :: 4.637(D) HB2 :: 2.561(D) HB3 :: 3.503(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.50(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.19 E 0.13 R 0.1 I 0.09 K 0.08 Q 0.08 V 0.04 M 0.02 C Shift Assignments>> C :: 176.54(D) CA :: 59.74(D) CB :: 29.83(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 :: 8.858(D) HA :: 3.928(D) HB2 :: 2.044(D) HB3 :: 2.044(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 :: 126.72(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 K 0.15 E 0.13 Q 0.12 I 0.11 R 0.08 M 0.01 L 0.01 C Shift Assignments>> C :: 176.69(D) CA :: 58.94(D) CB :: 28.81(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 :: 8.199(D) HA :: 4.019(D) HB2 :: 2.125(D) HB3 :: 2.125(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 :: 117.78(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 174.29(D) CA :: 62.080(D) CB :: 38.710(D) CD1 :: 132.42(D) CD2 :: 132.42(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 :: 7.957(D) HD1 :: 7.059(D) HD2 :: 7.059(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.27(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.62 I 0.37 C Shift Assignments>> C :: 175.78(D) CA :: 62.38(D) CB :: 36.09(D) CG1 :: 27.01(D) CG2 :: 17.38(D) CD1 :: 9.71(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 :: 8.223(D) HA :: 3.533(D) HB :: 2.058(D) HG12 :: 1.492(D) HG13 :: 1.803(D) HG21 :: 0.857(D) HG22 :: 0.857(D) HG23 :: 0.857(D) HD11 :: 0.811(D) HD12 :: 0.811(D) HD13 :: 0.811(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 :: 118.94(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 V 0.24 K 0.11 W 0.08 M 0.06 R 0.06 Q 0.05 E 0.03 P 0.02 C Shift Assignments>> C :: 176.62(D) CA :: 60.15(D) CB :: 32.78(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 :: 7.969(D) HA :: 3.892(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 :: 119.21(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 P 0.27 C 0.18 R 0.04 W 0.03 K 0.01 Q 0.01 HN Overlap>> 1.V45 2.K42 1.V45 2.K42 C Shift Assignments>> CA :: 61.78(D) CB :: 26.79(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 :: 8.368(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 :: 122.62(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> V 0.93 C 0.06 HN Overlap>> 1.W41 1.W41 2.K42 2.K42 C Shift Assignments>> C :: 175.00(D) CA :: 67.37(D) CB :: 30.53(D) CG1 :: 21.95(D) CG2 :: 21.71(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 :: 8.355(D) HA :: 3.122(D) HB :: 1.487(D) HG11 :: -0.209(S) HG12 :: -0.209(S) HG13 :: -0.209(S) HG21 :: 0.554(D) HG22 :: 0.554(D) HG23 :: 0.554(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 :: 122.58(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 C 0.23 W 0.15 K 0.07 E 0.07 R 0.04 Q 0.04 V 0.03 P 0.03 C Shift Assignments>> C :: 175.23(D) CA :: 60.96(D) CB :: 28.94(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 :: 8.627(D) HA :: 3.575(D) HB2 :: 1.891(D) HB3 :: 1.992(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 :: 120.65(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.11(D) CA :: 66.85(D) CB :: 68.82(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 :: 7.755(D) HA :: 3.950(D) HB :: 4.275(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 :: 114.51(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 175.74(D) CA :: 66.85(D) CB :: 31.54(D) CG1 :: 21.66(D) CG2 :: 23.04(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 :: 7.667(D) HA :: 3.554(D) HB :: 2.102(D) HG11 :: 0.821(D) HG12 :: 0.821(D) HG13 :: 0.821(D) HG21 :: 0.974(D) HG22 :: 0.974(D) HG23 :: 0.974(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 :: 123.66(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.43 L 0.4 G 0.08 R 0.04 K 0.02 C Shift Assignments>> C :: 175.72(D) CA :: 58.15(D) CB :: 43.19(D) CD1 :: 25.40(D) CD2 :: 26.06(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 :: 8.857(D) HA :: 4.149(D) HB2 :: 1.835(D) HB3 :: 1.835(D) HD11 :: 0.997(D) HD12 :: 0.997(D) HD13 :: 0.997(D) HD21 :: 1.037(D) HD22 :: 1.037(D) HD23 :: 1.037(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 :: 121.98(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 C 0.18 D 0.18 N 0.12 L 0.1 I 0.05 E 0.01 C Shift Assignments>> C :: 174.49(D) CA :: 56.37(D) CB :: 39.31(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 :: 8.537(D) HA :: 4.322(D) HB2 :: 2.752(D) HB3 :: 2.802(D) HD21 :: 7.516(D) HD22 :: 6.764(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.65(D) ND2 :: 112.47(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 K 0.17 M 0.16 R 0.14 W 0.12 E 0.09 Q 0.05 V 0.04 C Shift Assignments>> C :: 176.05(D) CA :: 57.63(D) CB :: 32.06(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 :: 7.362(D) HA :: 4.076(D) HB2 :: 1.863(D) HB3 :: 1.863(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.62(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 174.13(D) CA :: 58.55(D) CB :: 34.89(D) CG :: 31.71(D) CE :: 16.57(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 :: 8.014(D) HA :: 3.721(D) HB2 :: 1.292(D) HB3 :: 1.844(D) HG2 :: 2.014(D) HG3 :: 2.392(D) HE1 :: 1.897(D) HE2 :: 1.897(D) HE3 :: 1.897(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.29(D) Ave N Shift Values>> N :: 120.09(3.57) 1.F53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 172.19(D) CA :: 56.57(D) CB :: 38.74(D) CD1 :: 132.39(D) CD2 :: 132.39(D) CE1 :: 130.94(D) CE2 :: 130.94(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 :: 7.455(D) HA :: 4.793(D) HB2 :: 2.593(D) HB3 :: 3.000(D) HD1 :: 7.223(D) HD2 :: 7.223(D) HE1 :: 7.080(D) HE2 :: 7.080(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.11(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 E 0.17 C 0.17 R 0.16 Q 0.12 M 0.07 K 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 173.25(D) CA :: 57.82(D) CB :: 30.46(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 :: 7.670(D) HA :: 4.131(D) HB2 :: 2.004(D) HB3 :: 2.004(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 :: 122.20(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 Q 0.2 K 0.19 M 0.16 V 0.05 R 0.05 W 0.04 E 0.03 C Shift Assignments>> CA :: 57.88(D) CB :: 33.75(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 :: 7.881(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 :: 124.95(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 171.45 CA :: 58.18 CB :: 63.87 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.467 HB2 :: 3.802 HB3 :: 3.802 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) 2.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 E 0.15 W 0.15 C 0.15 Q 0.13 M 0.1 K 0.09 V 0.01 C Shift Assignments>> C :: 174.06 CA :: 56.46 CB :: 30.72 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 :: 8.576 HA :: 4.268 HB2 :: 1.696 HB3 :: 1.811 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 :: 123.48 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 171.29 CA :: 45.27 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.401 HA2 :: 3.870 HA3 :: 3.870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.78 Ave N Shift Values>> N :: 109.67(3.87) 2.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.2 C 0.18 Q 0.16 R 0.09 W 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 174.32 CA :: 56.55 CB :: 32.99 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 :: 8.147 HA :: 4.229 HB2 :: 1.703 HB3 :: 1.755 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 :: 120.98 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.24 D 0.17 F 0.12 R 0.1 C 0.06 N 0.01 C Shift Assignments>> C :: 175.16 CA :: 55.90 CB :: 41.99 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 :: 8.267 HA :: 4.209 HB2 :: 1.513 HB3 :: 1.588 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 :: 123.18 Ave N Shift Values>> N :: 121.86(3.9) 2.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 W 0.17 R 0.15 C 0.15 Q 0.14 K 0.1 M 0.06 I 0.01 V 0.01 C Shift Assignments>> C :: 173.91 CA :: 57.27 CB :: 30.07 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 :: 8.427 HA :: 4.141 HB2 :: 1.880 HB3 :: 1.964 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 :: 120.75 Ave N Shift Values>> N :: 120.67(3.48) 2.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 F 0.12 N 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 174.26 CA :: 54.88 CB :: 41.12 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 :: 8.140 HA :: 4.499 HB2 :: 2.586 HB3 :: 2.664 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 :: 120.85 Ave N Shift Values>> N :: 120.65(3.86) 2.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 M 0.2 C 0.18 Q 0.13 R 0.11 W 0.07 E 0.05 V 0.02 HN Overlap>> 2.Q11 2.Q11 C Shift Assignments>> C :: 174.49 CA :: 56.62 CB :: 32.73 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 :: 8.190 HA :: 4.258 HB2 :: 2.010 HB3 :: 2.010 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 :: 120.46 Ave N Shift Values>> N :: 120.09(3.57) 2.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.17 C 0.15 R 0.14 Q 0.14 K 0.11 M 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 174.60 CA :: 57.64 CB :: 29.89 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 :: 8.278 HA :: 4.122 HB2 :: 1.965 HB3 :: 1.965 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 :: 120.88 Ave N Shift Values>> N :: 120.67(3.48) 2.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 Q 0.18 W 0.14 E 0.14 C 0.13 R 0.11 M 0.03 I 0.02 L 0.02 HN Overlap>> 2.M9 2.M9 C Shift Assignments>> C :: 174.12 CA :: 56.71 CB :: 28.97 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 :: 8.198 HA :: 4.171 HB2 :: 1.977 HB3 :: 2.028 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 :: 120.50 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 C 0.2 M 0.17 Q 0.14 R 0.09 W 0.07 E 0.05 V 0.04 C Shift Assignments>> C :: 174.57 CA :: 57.46 CB :: 32.93 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 :: 8.098 HA :: 4.141 HB2 :: 1.729 HB3 :: 1.729 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 :: 121.76 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.45 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 :: 8.236 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 :: 121.40 Ave N Shift Values>> N :: 120.67(3.48) 2.T14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.W19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.C22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.F23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.19 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 2.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.11 CA :: 66.20 CB :: 68.12 CG2 :: 21.86 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 :: 8.297 HA :: 3.918 HB :: 4.130 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 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 :: 113.16 Ave N Shift Values>> N :: 115.42(4.75) 2.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.2 R 0.19 F 0.16 C 0.07 D 0.07 I 0.01 C Shift Assignments>> C :: 174.76 CA :: 57.57 CB :: 42.36 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 :: 7.143 HA :: 3.989 HB2 :: 1.458 HB3 :: 1.458 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 :: 124.63 Ave N Shift Values>> N :: 121.86(3.9) 2.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.68 F 0.31 C Shift Assignments>> C :: 173.23 CA :: 59.85 CD1 :: 127.22 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.799 HA :: 4.045 HD1 :: 7.041 HE1 :: 10.286 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.06 NE1 :: 131.05 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.15 K 0.14 W 0.11 R 0.09 M 0.08 E 0.06 Q 0.04 P 0.01 C Shift Assignments>> C :: 177.19 CA :: 59.45 CB :: 32.31 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 :: 7.966 HA :: 3.611 HB2 :: 1.788 HB3 :: 1.788 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 :: 114.25 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.41 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.492 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.35 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.A37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.6 M 0.37 C 0.01 C Shift Assignments>> C :: 175.08 CA :: 53.35 CB :: 17.51 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.928 HA :: 2.242(S) HB1 :: 0.603 HB2 :: 0.603 HB3 :: 0.603 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.16 Ave N Shift Values>> N :: 123.23(3.54) 2.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.29 A 0.06 C Shift Assignments>> C :: 175.91 CA :: 55.09 CB :: 41.52 CG :: 26.52 CD1 :: 22.60 CD2 :: 24.30 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 :: 7.011 HA :: 3.683 HB2 :: 1.067 HB3 :: 1.219 HG :: 0.813 HD11 :: 0.207 HD12 :: 0.207 HD13 :: 0.207 HD21 :: 0.277 HD22 :: 0.277 HD23 :: 0.277 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.65 Ave N Shift Values>> N :: 121.86(3.9) 2.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.23 CA :: 59.51 CB :: 63.57 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.294 HA :: 4.112 HB2 :: 3.814 HB3 :: 3.814 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.00 Ave N Shift Values>> N :: 116.28(3.52) 2.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 Q 0.16 W 0.15 E 0.15 C 0.14 K 0.09 M 0.09 C Shift Assignments>> C :: 173.63 CA :: 55.58 CB :: 30.15 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.858 HA :: 4.283 HB2 :: 1.642 HB3 :: 1.871 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 :: 122.34 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 M 0.19 C 0.18 Q 0.14 R 0.1 W 0.07 E 0.05 V 0.03 C Shift Assignments>> C :: 173.72 CA :: 56.87 CB :: 32.81 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 :: 8.036 HA :: 4.152 HB2 :: 1.714 HB3 :: 1.714 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 :: 122.30 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.2 C 0.18 Q 0.17 R 0.09 W 0.06 E 0.04 V 0.01 HN Overlap>> 1.W41 1.V45 1.W41 1.V45 C Shift Assignments>> C :: 173.23 CA :: 56.24 CB :: 33.00 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 :: 8.302 HA :: 4.270 HB2 :: 1.674 HB3 :: 1.798 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 :: 122.56 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.22 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.908 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.36 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 46 #Clerical: 49 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 26 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 70 #Duplicate: 187 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 94 #Duplicate: 259 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 24 #Duplicate: 49 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E2 C = 172.88(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.0741e-02 1.E2 CA = 56.24(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0533e-01 1.E2 CB = 30.44(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.0259e-01 1.A3 C = 174.71(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.5487e-01 1.A3 CA = 52.26(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.5672e-01 1.A3 CB = 19.36(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4832e-01 1.A3 H = 8.445(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.8303e-01 1.A3 HA = 4.249(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8006e-01 1.A3 HB1 = 1.295(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.3247e-01 1.A3 HB2 = 1.295(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.3247e-01 1.A3 HB3 = 1.295(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.3247e-01 1.A3 N = 125.80(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6785e-01 1.S4 C = 170.40(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.4148e-02 1.S4 CA = 56.26(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.3467e-01 1.S4 CB = 63.29(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.3040e-01 1.S4 H = 8.336(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2438e-01 1.S4 N = 116.79(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.8480e-01 1.P5 C = 174.52(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.3972e-01 1.P5 CA = 63.56(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7973e-01 1.P5 CB = 32.04(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.7208e-01 1.P5 HA = 4.384(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.6133e-01 1.P5 HB2 = 1.883(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.7353e-01 1.P5 HB3 = 2.243(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.9968e-01 1.S6 C = 172.15(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.5099e-01 1.S6 CA = 58.64(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.6917e-01 1.S6 CB = 63.65(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1927e-01 1.S6 H = 8.283(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.9594e-01 1.S6 HA = 4.325(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.9839e-01 1.S6 HB2 = 3.790(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.1885e-01 1.S6 HB3 = 3.790(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.2414e-01 1.S6 N = 115.53(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3127e-01 1.E7 C = 174.24(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.7743e-01 1.E7 CA = 56.96(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.6324e-01 1.E7 CB = 30.18(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.2127e-01 1.E7 H = 8.269(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1765e-01 1.E7 HA = 4.208(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.1841e-01 1.E7 HB2 = 1.899(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.6449e-01 1.E7 HB3 = 2.000(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.6532e-01 1.E7 N = 122.68(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6354e-01 1.G8 C = 171.37(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.8359e-01 1.G8 CA = 45.36(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9405e-01 1.G8 H = 8.283(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4236e-01 1.G8 HA2 = 3.867(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.8072e-01 1.G8 HA3 = 3.867(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.2893e-01 1.G8 N = 109.14(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9107e-01 1.L9 C = 174.83(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.7531e-01 1.L9 CA = 55.36(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.0285e-01 1.L9 CB = 42.49(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2372e-01 1.L9 CG = 26.87(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.3479e-01 1.L9 CD1 = 23.58(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.7339e-01 1.L9 CD2 = 24.88(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.2538e-01 1.L9 H = 7.985(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0623e-01 1.L9 HA = 4.309(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.8133e-01 1.L9 HB2 = 1.521(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.9350e-01 1.L9 HB3 = 1.578(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.7201e-01 1.L9 HG = 1.521(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.7341e-01 1.L9 HD11 = 0.786(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9770e-01 1.L9 HD12 = 0.786(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9770e-01 1.L9 HD13 = 0.786(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9770e-01 1.L9 HD21 = 0.838(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0958e-01 1.L9 HD22 = 0.838(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0958e-01 1.L9 HD23 = 0.838(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0958e-01 1.L9 N = 121.30(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8582e-01 1.T10 C = 171.68(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.0416e-01 1.T10 CA = 62.15(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7844e-01 1.T10 CB = 69.72(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.9511e-01 1.T10 H = 8.067(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.8022e-01 1.T10 HA = 4.229(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.3034e-01 1.T10 HB = 4.079(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.8273e-01 1.T10 N = 115.35(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.8824e-01 1.I11 C = 173.21(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.6913e-01 1.I11 CA = 61.04(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3157e-01 1.I11 CB = 38.55(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6841e-01 1.I11 CG1 = 27.24(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.7966e-01 1.I11 CG2 = 17.45(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.5309e-01 1.I11 CD1 = 12.77(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.9269e-01 1.I11 H = 8.033(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.1643e-01 1.I11 HA = 4.049(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.1504e-01 1.I11 HB = 1.746(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.0667e-01 1.I11 HG12 = 1.076(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.1005e-01 1.I11 HG13 = 1.360(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.7841e-01 1.I11 HG21 = 0.783(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.6160e-01 1.I11 HG22 = 0.783(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.6160e-01 1.I11 HG23 = 0.783(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.6160e-01 1.I11 HD11 = 0.749(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.1193e-01 1.I11 HD12 = 0.749(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.1193e-01 1.I11 HD13 = 0.749(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.1193e-01 1.I11 N = 123.42(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4699e-01 1.R12 C = 173.41(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.3945e-01 1.R12 CA = 55.97(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.2910e-01 1.R12 CB = 30.81(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.5207e-01 1.R12 H = 8.269(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.6208e-01 1.R12 HA = 4.301(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.9827e-01 1.R12 HB2 = 1.665(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.4339e-01 1.R12 HB3 = 1.735(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.2886e-01 1.R12 N = 125.30(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.2140e-01 1.V13 C = 173.25(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.1226e-01 1.V13 CA = 62.26(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3590e-01 1.V13 CB = 32.75(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9109e-01 1.V13 CG1 = 20.41(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.2713e-01 1.V13 CG2 = 20.96(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.4750e-01 1.V13 H = 8.062(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3363e-01 1.V13 HA = 3.991(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.3152e-01 1.V13 HB = 1.937(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.9311e-01 1.V13 HG11 = 0.826(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.8773e-01 1.V13 HG12 = 0.826(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.8773e-01 1.V13 HG13 = 0.826(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.8773e-01 1.V13 HG21 = 0.826(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.2602e-01 1.V13 HG22 = 0.826(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.2602e-01 1.V13 HG23 = 0.826(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.2602e-01 1.V13 N = 121.59(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2104e-01 1.K14 C = 173.42(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.0740e-01 1.K14 CA = 56.41(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0610e-01 1.K14 CB = 33.14(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.4412e-01 1.K14 H = 8.308(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4409e-01 1.K14 HA = 4.200(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.7360e-01 1.K14 HB2 = 1.682(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.9506e-01 1.K14 HB3 = 1.682(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.2991e-01 1.K14 N = 124.86(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.1220e-01 1.N15 C = 172.48(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.1908e-01 1.N15 CA = 53.28(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.9001e-01 1.N15 CB = 38.79(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.5282e-01 1.N15 H = 8.404(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.1908e-01 1.N15 HA = 4.612(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.7201e-01 1.N15 HB2 = 2.688(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.9391e-01 1.N15 HB3 = 2.688(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.5097e-01 1.N15 N = 120.37(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.2085e-01 1.V16 C = 173.05(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.7617e-01 1.V16 CA = 62.41(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7768e-01 1.V16 CB = 32.64(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.5990e-01 1.V16 CG1 = 20.96(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.9675e-01 1.V16 CG2 = 20.41(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.8584e-01 1.V16 H = 8.051(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2130e-01 1.V16 HA = 4.020(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.6944e-01 1.V16 HB = 1.996(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.6012e-01 1.V16 HG11 = 0.827(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9079e-01 1.V16 HG12 = 0.827(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9079e-01 1.V16 HG13 = 0.827(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9079e-01 1.V16 HG21 = 0.827(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.2318e-01 1.V16 HG22 = 0.827(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.2318e-01 1.V16 HG23 = 0.827(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.2318e-01 1.V16 N = 120.19(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3425e-01 1.N17 C = 172.80(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.6762e-01 1.N17 CA = 53.23(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.6903e-01 1.N17 CB = 38.69(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.0000e+00 1.N17 H = 8.436(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.7889e-01 1.N17 HA = 4.627(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.0492e-01 1.N17 HB2 = 2.702(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.2755e-01 1.N17 HB3 = 2.780(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.2757e-01 1.N17 N = 122.13(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.2717e-01 1.R18 C = 173.50(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.5172e-01 1.R18 CA = 56.47(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.9667e-01 1.R18 CB = 30.41(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.7409e-01 1.R18 H = 8.342(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6720e-01 1.R18 HA = 4.177(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.8917e-01 1.R18 HB2 = 1.648(D), Expected = 1.79, Std = 0.2700, ChiSquare = 5.9894e-01 1.R18 HB3 = 1.758(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.9430e-01 1.R18 N = 122.23(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.9758e-01 1.N19 C = 172.54(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.2722e-01 1.N19 CA = 53.48(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7454e-01 1.N19 CB = 38.70(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9528e-01 1.N19 H = 8.347(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.9113e-01 1.N19 HA = 4.538(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.1387e-01 1.N19 HB2 = 2.655(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.1707e-01 1.N19 HB3 = 2.655(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.7344e-01 1.N19 N = 119.13(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.6042e-01 1.A20 C = 175.10(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.1518e-01 1.A20 CA = 52.83(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7559e-01 1.A20 CB = 19.17(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3033e-01 1.A20 H = 8.127(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0316e-01 1.A20 HA = 4.202(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.9513e-01 1.A20 HB1 = 1.281(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9071e-01 1.A20 HB2 = 1.281(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9071e-01 1.A20 HB3 = 1.281(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9071e-01 1.A20 N = 124.24(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7541e-01 1.S21 C = 171.94(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.1920e-01 1.S21 CA = 58.60(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.5377e-01 1.S21 CB = 63.75(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7305e-01 1.S21 H = 8.127(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9539e-01 1.S21 HA = 4.297(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.4731e-01 1.S21 HB2 = 3.782(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.9506e-01 1.S21 HB3 = 3.782(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.0116e-01 1.S21 N = 114.69(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5148e-01 1.R22 C = 173.39(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.3683e-01 1.R22 CA = 55.98(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.3236e-01 1.R22 CB = 29.62(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.5508e-01 1.R22 H = 7.949(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.3333e-01 1.R22 HA = 4.021(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.4417e-01 1.R22 HB2 = 1.001(D), Expected = 1.79, Std = 0.2700, ChiSquare = 3.4754e-03 1.R22 HB3 = 1.001(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.7138e-03 1.R22 N = 122.48(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4801e-01 1.K23 C = 173.95(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.7862e-01 1.K23 CA = 56.79(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.4202e-01 1.K23 CB = 33.46(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.0662e-01 1.K23 H = 8.038(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0001e-01 1.K23 HA = 4.230(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2757e-01 1.K23 HB2 = 1.777(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.9043e-01 1.K23 HB3 = 1.777(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.9100e-01 1.K23 N = 122.89(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2550e-01 1.I24 C = 172.05(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.7797e-02 1.I24 CA = 61.62(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9702e-01 1.I24 CB = 39.45(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.8479e-01 1.I24 CG1 = 27.83(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.4306e-01 1.I24 CG2 = 18.80(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.5040e-01 1.I24 CD1 = 14.53(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.1010e-01 1.I24 H = 8.691(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.4557e-01 1.I24 HA = 4.275(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.6529e-01 1.I24 HB = 1.855(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.9593e-01 1.I24 HG12 = 1.053(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.7037e-01 1.I24 HG13 = 1.053(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.3827e-01 1.I24 HG21 = 0.906(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.1447e-01 1.I24 HG22 = 0.906(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.1447e-01 1.I24 HG23 = 0.906(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.1447e-01 1.I24 HD11 = 0.751(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0659e-01 1.I24 HD12 = 0.751(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0659e-01 1.I24 HD13 = 0.751(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0659e-01 1.I24 N = 123.23(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7920e-01 1.S25 CA = 55.95(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.8084e-01 1.S25 CB = 64.57(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.0288e-01 1.S25 H = 7.495(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8335e-01 1.S25 N = 119.98(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.9320e-01 1.K26 C = 175.63(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.1356e-01 1.K26 CA = 60.52(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.0465e-01 1.K26 CB = 32.030(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.6940e-01 1.K26 HA = 3.865(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.5734e-01 1.R27 C = 175.78(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.5630e-01 1.R27 CA = 59.44(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.4774e-01 1.R27 CB = 29.91(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.6596e-01 1.R27 H = 8.387(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.0957e-01 1.R27 HA = 3.797(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.7418e-01 1.R27 HB2 = 1.603(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.8857e-01 1.R27 HB3 = 1.808(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.6389e-01 1.R27 N = 118.77(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.8120e-01 1.L28 C = 175.99(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.1352e-01 1.L28 CA = 57.52(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7238e-01 1.L28 CB = 42.12(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1950e-01 1.L28 CG = 27.00(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.4148e-01 1.L28 CD1 = 24.36(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.2088e-01 1.L28 CD2 = 24.43(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.2312e-01 1.L28 H = 7.476(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.4605e-01 1.L28 HA = 3.861(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.2877e-01 1.L28 HB2 = 1.446(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.2956e-01 1.L28 HB3 = 1.580(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.6763e-01 1.L28 HG = 1.245(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.2196e-01 1.L28 HD11 = 0.629(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6564e-01 1.L28 HD12 = 0.629(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6564e-01 1.L28 HD13 = 0.629(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6564e-01 1.L28 HD21 = 0.784(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.5228e-01 1.L28 HD22 = 0.784(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.5228e-01 1.L28 HD23 = 0.784(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.5228e-01 1.L28 N = 119.97(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2795e-01 1.I29 C = 174.44(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.6272e-01 1.I29 CA = 66.29(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.0764e-02 1.I29 CB = 38.07(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.8161e-01 1.I29 CG1 = 29.39(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.1731e-01 1.I29 CG2 = 18.18(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.3269e-01 1.I29 CD1 = 14.31(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.9823e-01 1.I29 H = 7.587(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0815e-01 1.I29 HA = 3.185(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.5604e-02 1.I29 HB = 1.711(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.1193e-01 1.I29 HG21 = 0.705(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0976e-01 1.I29 HG22 = 0.705(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0976e-01 1.I29 HG23 = 0.705(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0976e-01 1.I29 HD11 = 0.949(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5362e-01 1.I29 HD12 = 0.949(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5362e-01 1.I29 HD13 = 0.949(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5362e-01 1.I29 N = 118.31(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.6174e-01 1.K30 C = 176.21(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.2977e-01 1.K30 CA = 60.28(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.3012e-01 1.K30 CB = 32.35(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0476e-01 1.K30 H = 8.107(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8998e-01 1.K30 HA = 3.689(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.8668e-01 1.K30 HB2 = 1.766(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.5534e-01 1.K30 HB3 = 1.766(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.2329e-01 1.K30 N = 116.95(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7680e-01 1.E31 C = 177.20(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6562e-01 1.E31 CA = 59.25(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.5578e-01 1.E31 CB = 29.40(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.2285e-01 1.E31 H = 7.763(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3654e-01 1.E31 HA = 3.787(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.5878e-01 1.E31 HB2 = 1.966(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.9707e-01 1.E31 HB3 = 2.087(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.7322e-01 1.E31 N = 117.52(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.6537e-01 1.K32 C = 175.30(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.0286e-01 1.K32 CA = 57.89(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.6918e-01 1.K32 CB = 29.91(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.0567e-01 1.K32 H = 7.914(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.4552e-01 1.K32 HA = 3.723(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.1380e-01 1.K32 HB2 = 0.525(S), Expected = 1.78, Std = 0.2500, ChiSquare = 5.1671e-07 1.K32 HB3 = 1.574(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.3868e-01 1.K32 N = 120.28(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3816e-01 1.L33 C = 175.33(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.0182e-01 1.L33 CA = 56.91(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.4476e-01 1.L33 CB = 40.94(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.6617e-01 1.L33 CD1 = 26.23(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.4227e-01 1.L33 CD2 = 22.15(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.6372e-01 1.L33 H = 7.774(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.8297e-01 1.L33 HA = 4.026(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.3162e-01 1.L33 HB2 = 1.542(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.4148e-01 1.L33 HB3 = 1.721(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.7662e-01 1.L33 HD11 = 0.586(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5807e-01 1.L33 HD12 = 0.586(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5807e-01 1.L33 HD13 = 0.586(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5807e-01 1.L33 HD21 = 0.252(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.9296e-02 1.L33 HD22 = 0.252(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.9296e-02 1.L33 HD23 = 0.252(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.9296e-02 1.L33 N = 114.39(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5444e-02 1.K34 C = 172.68(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.7704e-02 1.K34 CA = 55.55(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.2454e-01 1.K34 CB = 32.75(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8207e-01 1.K34 H = 7.096(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8253e-02 1.K34 HA = 4.274(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9275e-01 1.K34 HB2 = 1.758(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.2988e-01 1.K34 HB3 = 1.900(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.5345e-01 1.K34 N = 114.75(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4704e-02 1.D35 C = 173.18(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.5768e-02 1.D35 CA = 53.24(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.7505e-01 1.D35 CB = 41.45(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.2495e-01 1.D35 H = 7.486(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5541e-01 1.D35 HA = 4.637(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.8323e-01 1.D35 HB2 = 2.561(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.4084e-01 1.D35 HB3 = 3.503(D), Expected = 2.66, Std = 0.2800, ChiSquare = 2.6063e-03 1.D35 N = 122.50(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3174e-01 1.E36 C = 176.54(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6562e-01 1.E36 CA = 59.74(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4691e-01 1.E36 CB = 29.83(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1665e-01 1.E36 H = 8.858(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7083e-01 1.E36 HA = 3.928(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.3224e-01 1.E36 HB2 = 2.044(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.0901e-01 1.E36 HB3 = 2.044(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.1438e-01 1.E36 N = 126.72(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2122e-02 1.E37 C = 176.69(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.2645e-01 1.E37 CA = 58.94(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.3827e-01 1.E37 CB = 28.81(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.8538e-01 1.E37 H = 8.199(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2429e-01 1.E37 HA = 4.019(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.7315e-01 1.E37 HB2 = 2.125(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.1707e-01 1.E37 HB3 = 2.125(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.5723e-01 1.E37 N = 117.78(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0628e-01 1.F38 C = 174.29(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.7014e-01 1.F38 CA = 62.080(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.1961e-01 1.F38 CB = 38.710(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.4025e-01 1.F38 CD1 = 132.42(D), Expected = 131.58, Std = 1.1800, ChiSquare = 4.7655e-01 1.F38 CD2 = 132.42(D), Expected = 131.63, Std = 1.1200, ChiSquare = 4.8059e-01 1.F38 H = 7.957(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.7567e-01 1.F38 HD1 = 7.059(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.9743e-01 1.F38 HD2 = 7.059(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.9743e-01 1.F38 N = 124.27(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.6078e-01 1.I39 C = 175.78(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.7092e-01 1.I39 CA = 62.38(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.7387e-01 1.I39 CB = 36.09(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.0860e-01 1.I39 CG1 = 27.01(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.7692e-01 1.I39 CG2 = 17.38(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.1218e-01 1.I39 CD1 = 9.71(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.5911e-02 1.I39 H = 8.223(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.3320e-01 1.I39 HA = 3.533(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.4794e-01 1.I39 HB = 2.058(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.3775e-01 1.I39 HG12 = 1.492(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.9611e-01 1.I39 HG13 = 1.803(D), Expected = 1.19, Std = 0.4100, ChiSquare = 1.3488e-01 1.I39 HG21 = 0.857(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.4728e-01 1.I39 HG22 = 0.857(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.4728e-01 1.I39 HG23 = 0.857(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.4728e-01 1.I39 HD11 = 0.811(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.5147e-01 1.I39 HD12 = 0.811(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.5147e-01 1.I39 HD13 = 0.811(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.5147e-01 1.I39 N = 118.94(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.5601e-01 1.K40 C = 176.62(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.9202e-01 1.K40 CA = 60.15(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4579e-01 1.K40 CB = 32.78(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.9552e-01 1.K40 H = 7.969(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1262e-01 1.K40 HA = 3.892(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.9029e-01 1.K40 N = 119.21(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2550e-01 1.W41 CA = 61.78(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.1029e-01 1.W41 CB = 26.79(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.0916e-01 1.W41 H = 8.368(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.2135e-01 1.W41 N = 122.62(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.2207e-01 1.V45 C = 175.00(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4419e-01 1.V45 CA = 67.37(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7953e-02 1.V45 CB = 30.53(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.1905e-01 1.V45 CG1 = 21.95(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.3519e-01 1.V45 CG2 = 21.71(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.7299e-01 1.V45 H = 8.355(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2271e-01 1.V45 HA = 3.122(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.5566e-02 1.V45 HB = 1.487(D), Expected = 1.98, Std = 0.3200, ChiSquare = 1.2341e-01 1.V45 HG11 = -0.209(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4380e-05 1.V45 HG12 = -0.209(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4380e-05 1.V45 HG13 = -0.209(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4380e-05 1.V45 HG21 = 0.554(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.7963e-01 1.V45 HG22 = 0.554(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.7963e-01 1.V45 HG23 = 0.554(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.7963e-01 1.V45 N = 122.58(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5111e-01 1.E46 C = 175.23(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.0033e-01 1.E46 CA = 60.96(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.1574e-02 1.E46 CB = 28.94(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.3388e-01 1.E46 H = 8.627(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1469e-01 1.E46 HA = 3.575(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.9693e-02 1.E46 HB2 = 1.891(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.3903e-01 1.E46 HB3 = 1.992(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.9306e-01 1.E46 N = 120.65(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9541e-01 1.T47 C = 174.11(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.0698e-01 1.T47 CA = 66.85(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.3833e-02 1.T47 CB = 68.82(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.7665e-01 1.T47 H = 7.755(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.3406e-01 1.T47 HA = 3.950(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.8801e-01 1.T47 HB = 4.275(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.5035e-01 1.T47 N = 114.51(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4807e-01 1.V48 C = 175.74(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.4964e-01 1.V48 CA = 66.85(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2739e-01 1.V48 CB = 31.54(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.0618e-01 1.V48 CG1 = 21.66(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.0052e-01 1.V48 CG2 = 23.04(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.5386e-01 1.V48 H = 7.667(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.5245e-01 1.V48 HA = 3.554(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.7284e-01 1.V48 HB = 2.102(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.0302e-01 1.V48 HG11 = 0.821(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7239e-01 1.V48 HG12 = 0.821(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7239e-01 1.V48 HG13 = 0.821(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7239e-01 1.V48 HG21 = 0.974(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3432e-01 1.V48 HG22 = 0.974(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3432e-01 1.V48 HG23 = 0.974(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3432e-01 1.V48 N = 123.66(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7885e-01 1.L49 C = 175.72(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.2125e-01 1.L49 CA = 58.15(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3491e-01 1.L49 CB = 43.19(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.3972e-01 1.L49 CD1 = 25.40(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.6889e-01 1.L49 CD2 = 26.06(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.3707e-01 1.L49 H = 8.857(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3474e-01 1.L49 HA = 4.149(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.1598e-01 1.L49 HB2 = 1.835(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.0812e-01 1.L49 HB3 = 1.835(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.8157e-01 1.L49 HD11 = 0.997(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.7770e-01 1.L49 HD12 = 0.997(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.7770e-01 1.L49 HD13 = 0.997(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.7770e-01 1.L49 HD21 = 1.037(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8977e-01 1.L49 HD22 = 1.037(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8977e-01 1.L49 HD23 = 1.037(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8977e-01 1.L49 N = 121.98(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7545e-01 1.N50 C = 174.49(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.6301e-01 1.N50 CA = 56.37(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3224e-01 1.N50 CB = 39.31(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.1372e-01 1.N50 H = 8.537(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5451e-01 1.N50 HA = 4.322(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.3371e-01 1.N50 HB2 = 2.752(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.5158e-01 1.N50 HB3 = 2.802(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.7479e-01 1.N50 HD21 = 7.516(D), Expected = 7.35, Std = 0.4800, ChiSquare = 7.2947e-01 1.N50 HD22 = 6.764(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.4288e-01 1.N50 N = 115.65(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.1570e-01 1.N50 ND2 = 112.47(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.0008e-01 1.K51 C = 176.05(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.6799e-01 1.K51 CA = 57.63(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.5725e-01 1.K51 CB = 32.06(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.8172e-01 1.K51 H = 7.362(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.6759e-01 1.K51 HA = 4.076(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.5928e-01 1.K51 HB2 = 1.863(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.3989e-01 1.K51 HB3 = 1.863(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.4871e-01 1.K51 N = 116.62(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.3997e-01 1.M52 C = 174.13(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.2666e-01 1.M52 CA = 58.55(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.7388e-01 1.M52 CB = 34.89(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.9632e-01 1.M52 CG = 31.71(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.0883e-01 1.M52 CE = 16.57(D), Expected = 17.07, Std = 1.5800, ChiSquare = 7.5166e-01 1.M52 H = 8.014(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.8181e-01 1.M52 HA = 3.721(D), Expected = 4.41, Std = 0.4800, ChiSquare = 1.5117e-01 1.M52 HB2 = 1.292(D), Expected = 2.03, Std = 0.3400, ChiSquare = 2.9962e-02 1.M52 HB3 = 1.844(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.6762e-01 1.M52 HG2 = 2.014(D), Expected = 2.42, Std = 0.3500, ChiSquare = 2.4605e-01 1.M52 HG3 = 2.392(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.9580e-01 1.M52 HE1 = 1.897(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.8786e-01 1.M52 HE2 = 1.897(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.8786e-01 1.M52 HE3 = 1.897(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.8786e-01 1.M52 N = 118.29(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.1412e-01 1.F53 C = 172.19(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.0456e-01 1.F53 CA = 56.57(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.5684e-01 1.F53 CB = 38.74(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.4978e-01 1.F53 CD1 = 132.39(D), Expected = 131.58, Std = 1.1800, ChiSquare = 4.9244e-01 1.F53 CD2 = 132.39(D), Expected = 131.63, Std = 1.1200, ChiSquare = 4.9741e-01 1.F53 CE1 = 130.94(D), Expected = 130.71, Std = 1.3000, ChiSquare = 8.5957e-01 1.F53 CE2 = 130.94(D), Expected = 130.76, Std = 1.1300, ChiSquare = 8.7344e-01 1.F53 H = 7.455(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.0877e-01 1.F53 HA = 4.793(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.7490e-01 1.F53 HB2 = 2.593(D), Expected = 3.00, Std = 0.3700, ChiSquare = 2.7133e-01 1.F53 HB3 = 3.000(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.6108e-01 1.F53 HD1 = 7.223(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.9902e-01 1.F53 HD2 = 7.223(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.9902e-01 1.F53 HE1 = 7.080(D), Expected = 7.08, Std = 0.3100, ChiSquare = 1.0000e+00 1.F53 HE2 = 7.080(D), Expected = 7.08, Std = 0.3200, ChiSquare = 1.0000e+00 1.F53 N = 116.11(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.9914e-01 1.E54 C = 173.25(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.3395e-02 1.E54 CA = 57.82(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.1092e-01 1.E54 CB = 30.46(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9361e-01 1.E54 H = 7.670(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.6329e-01 1.E54 HA = 4.131(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.7163e-01 1.E54 HB2 = 2.004(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.3927e-01 1.E54 HB3 = 2.004(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.5146e-01 1.E54 N = 122.20(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6019e-01 1.K55 CA = 57.88(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.7249e-01 1.K55 CB = 33.75(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.8966e-01 1.K55 H = 7.881(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.0655e-01 1.K55 N = 124.95(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.0091e-01 2.A37 HA = 2.242(S), Expected = 4.26, Std = 0.4400, ChiSquare = 4.5103e-06