Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.C1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> L 0.39 F 0.23 K 0.2 C 0.12 R 0.02 I 0.01 C Shift Assignments>> C :: 174.72(D) CA :: 55.14(D) CB :: 41.01(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.94(D) HB2 :: 3.32 HB3 :: 3.15 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.G2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.18(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.62(D) HA2 :: 4.27(D) HA3 :: 4.06(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.96(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.70(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.52(D) HA2 :: 4.16(D) HA3 :: 4.95(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.81(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.05 C 0.04 C Shift Assignments>> C :: 174.84 CA :: 46.56(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.73(D) HA2 :: 4.09(D) HA3 :: 4.09(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.77(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.38 C 0.37 I 0.15 K 0.08 C Shift Assignments>> C :: 178.32(D) CA :: 58.61(D) CB :: 29.15(D) CG :: 36.37(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 :: 8.61(D) HA :: 4.23(D) HB2 :: 2.16(D) HB3 :: 2.16(D) HG2 :: 2.41(D) HG3 :: 2.41(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.57(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 177.53(D) CA :: 62.65(D) CB :: 36.41(D) CG1 :: 28.35(D) CG2 :: 18.03(D) CD1 :: 11.47(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 :: 7.89(D) HA :: 3.86(D) HB :: 2.03(D) HG12 :: 1.54(D) HG13 :: 1.37(D) HG21 :: 0.83(D) HG22 :: 0.83(D) HG23 :: 0.83(D) HD11 :: 0.83(D) HD12 :: 0.83(D) HD13 :: 0.83(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.58(D) Ave N Shift Values>> N :: 121.46(4.28) 1.W7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 I 0.2 W 0.17 K 0.12 E 0.11 H 0.08 R 0.06 L 0.01 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 176.91(D) CA :: 59.78(D) CB :: 28.67(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 :: 8.17(D) HA :: 4.50(D) HB2 :: 3.63(D) HB3 :: 3.27(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 :: 120.31(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 K 0.47 C Shift Assignments>> C :: 179.42(D) CA :: 58.98(D) CB :: 31.87(D) CG :: 24.87(D) CD :: 28.86(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 :: 7.55(D) HA :: 3.98(D) HB2 :: 1.92(D) HB3 :: 1.92(D) HG2 :: 1.61(D) HG3 :: 1.53(D) HD2 :: 1.77 HD3 :: 1.77 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.43(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 L 0.4 R 0.13 C Shift Assignments>> C :: 179.20(D) CA :: 57.34(D) CB :: 41.85(D) CG :: 26.87(D) CD1 :: 27.18(D) CD2 :: 22.74(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 :: 7.46(D) HA :: 4.36(D) HB2 :: 2.29(D) HB3 :: 1.68(D) HG :: 2.02(D) HD11 :: 1.13(D) HD12 :: 1.13(D) HD13 :: 1.13(D) HD21 :: 0.96(D) HD22 :: 0.96(D) HD23 :: 0.96(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.63(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 E 0.17 C 0.16 H 0.15 R 0.14 K 0.12 I 0.03 C Shift Assignments>> C :: 178.11(D) CA :: 57.85(D) CB :: 29.79(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.54(D) HA :: 4.71(D) HB2 :: 2.83(D) HB3 :: 2.67(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.97(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 E 0.32 I 0.23 K 0.03 C Shift Assignments>> C :: 178.96(D) CA :: 59.70(D) CB :: 29.56(D) CG :: 36.78(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 :: 8.59(D) HA :: 3.78(D) HB2 :: 1.97(D) HB3 :: 1.88(D) HG2 :: 2.23 HG3 :: 2.14 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.09(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 E 0.33 I 0.17 K 0.11 C Shift Assignments>> C :: 178.95(D) CA :: 59.35(D) CB :: 28.98(D) CG :: 35.87(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 :: 7.95(D) HA :: 4.20(D) HB2 :: 1.93(D) HB3 :: 1.93(D) HG2 :: 2.35(D) HG3 :: 2.25(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 :: 120.34(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.55 C 0.23 F 0.18 E 0.01 C Shift Assignments>> C :: 176.08(D) CA :: 61.29(D) CB :: 38.32(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.26(D) HA :: 4.32(D) HB2 :: 3.25(D) HB3 :: 2.88(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 :: 121.09(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 C 0.48 R 0.01 C Shift Assignments>> C :: 179.41(D) CA :: 57.83(D) CB :: 41.09(D) CG :: 27.00(D) CD1 :: 25.83(D) CD2 :: 22.16(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 :: 8.40(D) HA :: 3.80(D) HB2 :: 2.04(D) HB3 :: 1.64(D) HG :: 1.87(D) HD11 :: 1.08(D) HD12 :: 1.08(D) HD13 :: 1.08(D) HD21 :: 1.01(D) HD22 :: 1.01(D) HD23 :: 1.01(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 :: 119.86(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 K 0.47 C Shift Assignments>> C :: 180.01(D) CA :: 59.35(D) CB :: 32.21(D) CG :: 24.89(D) CD :: 28.95(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 :: 8.50(D) HA :: 4.14(D) HB2 :: 2.02(D) HB3 :: 2.02(D) HG2 :: 1.51(D) HG3 :: 1.41(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 :: 120.55(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.55 K 0.44 HN Overlap>> 1.W7 1.W7 C Shift Assignments>> C :: 179.34(D) CA :: 58.54(D) CB :: 32.07(D) CG :: 25.90(D) CD :: 28.56(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.23(D) HA :: 4.20(D) HB2 :: 2.16(D) HB3 :: 1.99(D) HG2 :: 1.40 HG3 :: 1.40 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 :: 120.26(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 F 0.3 C 0.28 E 0.05 L 0.01 C Shift Assignments>> C :: 178.06(D) CA :: 59.38(D) CB :: 38.31(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.46(D) HA :: 4.08(D) HB2 :: 3.06(D) HB3 :: 2.72(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.83(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.99 C Shift Assignments>> C :: 178.97(D) CA :: 59.68(D) CB :: 35.85(S) CG :: 36.45 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 :: 8.38(D) HA :: 3.86(D) HB2 :: 2.29(D) HB3 :: 2.22(D) HG2 :: 2.48(D) HG3 :: 2.48(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.02(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.39 E 0.35 I 0.18 K 0.06 C Shift Assignments>> C :: 179.26(D) CA :: 59.45(D) CB :: 29.43(D) CG :: 36.33(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 :: 7.92(D) HA :: 4.08(D) HB2 :: 2.24(D) HB3 :: 1.58(D) HG2 :: 2.53(D) HG3 :: 2.29(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.31(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.55 C 0.4 R 0.03 C Shift Assignments>> C :: 189.78(S) CA :: 57.88(D) CB :: 41.64(D) CG :: 26.56(D) CD1 :: 26.04(D) CD2 :: 23.27(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.94(D) HA :: 4.17(D) HB2 :: 2.19(D) HB3 :: 1.42(D) HG :: 1.98(D) HD11 :: 0.94(D) HD12 :: 0.94(D) HD13 :: 0.94(D) HD21 :: 0.94(D) HD22 :: 0.94(D) HD23 :: 0.94(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 :: 119.86(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.56 C 0.43 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 179.05(D) CA :: 58.11(D) CB :: 41.27(D) CG :: 27.07(D) CD1 :: 24.20(D) CD2 :: 23.66(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 :: 8.08(D) HA :: 3.93(D) HB2 :: 1.71(D) HB3 :: 1.50(D) HG :: 1.43(D) HD11 :: 0.37(D) HD12 :: 0.37(D) HD13 :: 0.37(D) HD21 :: 0.42(D) HD22 :: 0.42(D) HD23 :: 0.42(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.96(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.57 K 0.42 C Shift Assignments>> C :: 180.12(D) CA :: 59.28(D) CB :: 31.46(D) CG :: 24.64(D) CD :: 28.22(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 :: 8.21(D) HA :: 4.22(D) HB2 :: 2.04(D) HB3 :: 2.04(D) HG2 :: 1.77 HG3 :: 1.64 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 :: 120.49(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 C 0.39 R 0.01 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> C :: 179.73(D) CA :: 57.68(D) CB :: 41.63(D) CG :: 26.93(D) CD1 :: 25.03(D) CD2 :: 23.46(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.07(D) HA :: 4.25(D) HB2 :: 2.02(D) HB3 :: 1.73(D) HG :: 1.87(D) HD11 :: 1.02(D) HD12 :: 1.02(D) HD13 :: 1.02(D) HD21 :: 0.99(D) HD22 :: 0.99(D) HD23 :: 0.99(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.96(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 W 0.18 R 0.13 K 0.13 E 0.11 H 0.1 I 0.01 C Shift Assignments>> C :: 177.31(D) CA :: 59.62(D) CB :: 31.64(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.38(D) HA :: 4.62(D) HB2 :: 3.33(D) HB3 :: 3.17(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.53(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.41 E 0.31 I 0.19 K 0.07 C Shift Assignments>> C :: 177.58(D) CA :: 60.20(D) CB :: 29.56(D) CG :: 35.96(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 :: 8.68(D) HA :: 3.88(D) HB2 :: 2.17 HB3 :: 2.17 HG2 :: 2.45 HG3 :: 2.45 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.51(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 E 0.36 I 0.15 K 0.11 C Shift Assignments>> C :: 179.67 CA :: 58.95(D) CB :: 29.04(D) CG :: 35.96(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 :: 7.48(D) HA :: 3.97(D) HB2 :: 2.20 HB3 :: 2.20 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.09(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 R 0.41 G 0.05 K 0.04 C Shift Assignments>> C :: 180.14(D) CA :: 59.29(D) CB :: 29.43(D) CG :: 27.86(D) CD :: 43.19(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 :: 7.79(D) HA :: 4.00(D) HB2 :: 1.99(D) HB3 :: 1.99(D) HG2 :: 1.69(D) HG3 :: 1.69 HD2 :: 3.32 HD3 :: 3.32 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 :: 118.42(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 0.56 C 0.43 C Shift Assignments>> C :: 179.03(D) CA :: 57.27(D) CB :: 40.66(D) CG :: 26.090(D) CD1 :: 24.92(D) CD2 :: 22.14(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 :: 8.48(D) HA :: 3.87(D) HB2 :: 2.02(D) HB3 :: 1.17(D) HG :: 1.37(D) HD11 :: 0.59(D) HD12 :: 0.59(D) HD13 :: 0.59(D) HD21 :: 0.25(D) HD22 :: 0.25(D) HD23 :: 0.25(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 :: 119.47(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 K 0.43 C Shift Assignments>> C :: 177.43(D) CA :: 58.50(D) CB :: 32.81(D) CG :: 26.15(D) CD :: 29.36(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 :: 7.84(D) HA :: 4.00(D) HB2 :: 1.75(D) HB3 :: 1.75(D) HG2 :: 1.39 HG3 :: 1.39 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 :: 117.64(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.56 C 0.43 C Shift Assignments>> C :: 175.99(D) CA :: 55.79(D) CB :: 33.07(D) CG :: 25.05(D) CD :: 28.94(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 :: 7.26(D) HA :: 4.43(D) HB2 :: 2.12(D) HB3 :: 1.82(D) HG2 :: 1.65(D) HG3 :: 1.55(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 :: 116.78(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.45 C 0.33 R 0.16 G 0.04 C Shift Assignments>> C :: 182.46(D) CA :: 57.24(D) CB :: 43.00(D) CG :: 26.77(D) CD1 :: 26.59(D) CD2 :: 23.61(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.15(D) HA :: 4.14(D) HB2 :: 1.83(D) HB3 :: 1.61(D) HG :: 1.92(D) HD11 :: 0.93(D) HD12 :: 0.93(D) HD13 :: 0.93(D) HD21 :: 0.92(D) HD22 :: 0.92(D) HD23 :: 0.92(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.84(D) Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 29 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 31 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 31 #Suspicious: 0 C Shift Results: #Consistent: 3 #Duplicate: 128 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 21 #Duplicate: 185 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 30 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.C1 C = 174.72(D), Expected = 174.95, Std = 2.0700, ChiSquare = 9.1153e-01 1.C1 CA = 55.14(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.4265e-01 1.C1 CB = 41.01(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.5630e-01 1.C1 HA = 4.94(D), Expected = 4.66, Std = 0.5500, ChiSquare = 6.1069e-01 1.G2 CA = 45.18(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9905e-01 1.G2 H = 8.62(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.5549e-01 1.G2 HA2 = 4.27(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.1747e-01 1.G2 HA3 = 4.06(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.6543e-01 1.G2 N = 110.96(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.3888e-01 1.G3 CA = 45.70(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9394e-01 1.G3 H = 8.52(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7005e-01 1.G3 HA2 = 4.16(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.0759e-01 1.G3 HA3 = 4.95(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.5420e-03 1.G3 N = 108.81(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2414e-01 1.G4 CA = 46.56(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.6653e-01 1.G4 H = 8.73(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.3830e-01 1.G4 HA2 = 4.09(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.4569e-01 1.G4 HA3 = 4.09(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.0759e-01 1.G4 N = 109.77(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7939e-01 1.E5 C = 178.32(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.5712e-01 1.E5 CA = 58.61(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.3709e-01 1.E5 CB = 29.15(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.1707e-01 1.E5 CG = 36.37(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.2705e-01 1.E5 H = 8.61(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3509e-01 1.E5 HA = 4.23(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.6109e-01 1.E5 HB2 = 2.16(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.0499e-01 1.E5 HB3 = 2.16(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.5983e-01 1.E5 HG2 = 2.41(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.0499e-01 1.E5 HG3 = 2.41(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.6706e-01 1.E5 N = 121.57(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9593e-01 1.I6 C = 177.53(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.8157e-01 1.I6 CA = 62.65(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.9797e-01 1.I6 CB = 36.41(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.7176e-01 1.I6 CG1 = 28.35(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.0324e-01 1.I6 CG2 = 18.03(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.1314e-01 1.I6 CD1 = 11.47(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.4053e-01 1.I6 H = 7.89(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.6629e-01 1.I6 HA = 3.86(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.6771e-01 1.I6 HB = 2.03(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.8865e-01 1.I6 HG12 = 1.54(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.1569e-01 1.I6 HG13 = 1.37(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.6064e-01 1.I6 HG21 = 0.83(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2414e-01 1.I6 HG22 = 0.83(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2414e-01 1.I6 HG23 = 0.83(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2414e-01 1.I6 HD11 = 0.83(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0499e-01 1.I6 HD12 = 0.83(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0499e-01 1.I6 HD13 = 0.83(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0499e-01 1.I6 N = 119.58(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.6048e-01 1.W7 C = 176.91(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.9429e-01 1.W7 CA = 59.78(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.1124e-01 1.W7 CB = 28.67(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.0499e-01 1.W7 H = 8.17(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.7927e-01 1.W7 HA = 4.50(D), Expected = 4.68, Std = 0.5300, ChiSquare = 7.3414e-01 1.W7 HB2 = 3.63(D), Expected = 3.19, Std = 0.3500, ChiSquare = 2.0870e-01 1.W7 HB3 = 3.27(D), Expected = 3.12, Std = 0.3600, ChiSquare = 6.7692e-01 1.W7 N = 120.31(D), Expected = 121.68, Std = 4.1800, ChiSquare = 7.4310e-01 1.K8 C = 179.42(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.6453e-01 1.K8 CA = 58.98(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.5615e-01 1.K8 CB = 31.87(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.0526e-01 1.K8 CG = 24.87(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.8588e-01 1.K8 CD = 28.86(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.2623e-01 1.K8 H = 7.55(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.8612e-01 1.K8 HA = 3.98(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.0984e-01 1.K8 HB2 = 1.92(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.7548e-01 1.K8 HB3 = 1.92(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.0499e-01 1.K8 HG2 = 1.61(D), Expected = 1.37, Std = 0.2600, ChiSquare = 3.5597e-01 1.K8 HG3 = 1.53(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.2032e-01 1.K8 N = 115.43(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.3604e-01 1.L9 C = 179.20(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.6435e-01 1.L9 CA = 57.34(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1937e-01 1.L9 CB = 41.85(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.0670e-01 1.L9 CG = 26.87(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.3479e-01 1.L9 CD1 = 27.18(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.2182e-01 1.L9 CD2 = 22.74(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.4095e-01 1.L9 H = 7.46(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.3617e-01 1.L9 HA = 4.36(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3218e-01 1.L9 HB2 = 2.29(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.5500e-02 1.L9 HB3 = 1.68(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.5672e-01 1.L9 HG = 2.02(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.2224e-01 1.L9 HD11 = 1.13(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7474e-01 1.L9 HD12 = 1.13(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7474e-01 1.L9 HD13 = 1.13(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7474e-01 1.L9 HD21 = 0.96(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2772e-01 1.L9 HD22 = 0.96(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2772e-01 1.L9 HD23 = 0.96(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2772e-01 1.L9 N = 118.63(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0755e-01 1.H10 C = 178.11(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.4656e-01 1.H10 CA = 57.85(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.6478e-01 1.H10 CB = 29.79(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.2790e-01 1.H10 H = 7.54(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.0329e-01 1.H10 HA = 4.71(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.1610e-01 1.H10 HB2 = 2.83(D), Expected = 3.10, Std = 0.3600, ChiSquare = 4.5325e-01 1.H10 HB3 = 2.67(D), Expected = 3.04, Std = 0.3800, ChiSquare = 3.3021e-01 1.H10 N = 120.97(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.4897e-01 1.E11 C = 178.96(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.8381e-01 1.E11 CA = 59.70(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5480e-01 1.E11 CB = 29.56(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9361e-01 1.E11 CG = 36.78(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.7342e-01 1.E11 H = 8.59(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5945e-01 1.E11 HA = 3.78(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.5165e-01 1.E11 HB2 = 1.97(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.1181e-01 1.E11 HB3 = 1.88(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.3246e-01 1.E11 N = 119.09(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4981e-01 1.E12 C = 178.95(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.8612e-01 1.E12 CA = 59.35(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3140e-01 1.E12 CB = 28.98(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.4928e-01 1.E12 CG = 35.87(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.4017e-01 1.E12 H = 7.95(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1953e-01 1.E12 HA = 4.20(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0294e-01 1.E12 HB2 = 1.93(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.6823e-01 1.E12 HB3 = 1.93(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.9419e-01 1.E12 HG2 = 2.35(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.0324e-01 1.E12 HG3 = 2.25(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.0000e+00 1.E12 N = 120.34(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2445e-01 1.F13 C = 176.08(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.4015e-01 1.F13 CA = 61.29(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.1165e-01 1.F13 CB = 38.32(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.2427e-01 1.F13 H = 8.26(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.8954e-01 1.F13 HA = 4.32(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.8654e-01 1.F13 HB2 = 3.25(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.9925e-01 1.F13 HB3 = 2.88(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.0052e-01 1.F13 N = 121.09(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.7831e-01 1.L14 C = 179.41(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.2162e-01 1.L14 CA = 57.83(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9948e-01 1.L14 CB = 41.09(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.1638e-01 1.L14 CG = 27.00(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.4148e-01 1.L14 CD1 = 25.83(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.8511e-01 1.L14 CD2 = 22.16(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.6624e-01 1.L14 H = 8.40(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9368e-01 1.L14 HA = 3.80(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.6856e-01 1.L14 HB2 = 2.04(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.0598e-01 1.L14 HB3 = 1.64(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.3888e-01 1.L14 HG = 1.87(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.7531e-01 1.L14 HD11 = 1.08(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3857e-01 1.L14 HD12 = 1.08(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3857e-01 1.L14 HD13 = 1.08(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3857e-01 1.L14 HD21 = 1.01(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.3429e-01 1.L14 HD22 = 1.01(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.3429e-01 1.L14 HD23 = 1.01(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.3429e-01 1.L14 N = 119.86(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0808e-01 1.K15 C = 180.01(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.1989e-02 1.K15 CA = 59.35(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7531e-01 1.K15 CB = 32.21(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.4454e-01 1.K15 CG = 24.89(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.0000e+00 1.K15 CD = 28.95(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.9261e-01 1.K15 H = 8.50(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.0539e-01 1.K15 HA = 4.14(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6765e-01 1.K15 HB2 = 2.02(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.3706e-01 1.K15 HB3 = 2.02(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.9972e-01 1.K15 HG2 = 1.51(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.9026e-01 1.K15 HG3 = 1.41(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.3032e-01 1.K15 N = 120.55(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9449e-01 1.K16 C = 179.34(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.7702e-01 1.K16 CA = 58.54(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.6985e-01 1.K16 CB = 32.07(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.8585e-01 1.K16 CG = 25.90(D), Expected = 24.89, Std = 1.1300, ChiSquare = 3.7143e-01 1.K16 CD = 28.56(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.1111e-01 1.K16 H = 8.23(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4685e-01 1.K16 HA = 4.20(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.7360e-01 1.K16 HB2 = 2.16(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.2851e-01 1.K16 HB3 = 1.99(D), Expected = 1.74, Std = 0.2700, ChiSquare = 3.5448e-01 1.K16 N = 120.26(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3402e-01 1.F17 C = 178.06(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.8463e-01 1.F17 CA = 59.38(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.1297e-01 1.F17 CB = 38.31(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.2150e-01 1.F17 H = 8.46(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.8954e-01 1.F17 HA = 4.08(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.3459e-01 1.F17 HB2 = 3.06(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.7118e-01 1.F17 HB3 = 2.72(D), Expected = 2.93, Std = 0.4000, ChiSquare = 5.9958e-01 1.F17 N = 122.83(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.6910e-01 1.E18 C = 178.97(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.8151e-01 1.E18 CA = 59.68(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5882e-01 1.E18 CB = 35.85(S), Expected = 30.01, Std = 1.7200, ChiSquare = 6.8541e-04 1.E18 H = 8.38(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3246e-01 1.E18 HA = 3.86(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.4149e-01 1.E18 HB2 = 2.29(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.9854e-01 1.E18 HB3 = 2.22(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.1731e-01 1.E18 HG2 = 2.48(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.1731e-01 1.E18 HG3 = 2.48(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.9581e-01 1.E18 N = 119.02(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3540e-01 1.E19 C = 179.26(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.2033e-01 1.E19 CA = 59.45(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0814e-01 1.E19 CB = 29.43(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.3596e-01 1.E19 CG = 36.33(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.5333e-01 1.E19 H = 7.92(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.8711e-01 1.E19 HA = 4.08(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.7841e-01 1.E19 HB2 = 2.24(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.9481e-01 1.E19 HB3 = 1.58(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.4650e-02 1.E19 HG2 = 2.53(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.1568e-01 1.E19 HG3 = 2.29(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.5573e-01 1.E19 N = 119.31(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9594e-01 1.L20 C = 189.78(S), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0498e-10 1.L20 CA = 57.88(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8868e-01 1.L20 CB = 41.64(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2155e-01 1.L20 CG = 26.56(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.4148e-01 1.L20 CD1 = 26.04(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.0643e-01 1.L20 CD2 = 23.27(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.4636e-01 1.L20 H = 7.94(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5549e-01 1.L20 HA = 4.17(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.4961e-01 1.L20 HB2 = 2.19(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.8030e-02 1.L20 HB3 = 1.42(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.8118e-01 1.L20 HG = 1.98(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.5438e-01 1.L20 HD11 = 0.94(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9741e-01 1.L20 HD12 = 0.94(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9741e-01 1.L20 HD13 = 0.94(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9741e-01 1.L20 HD21 = 0.94(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6898e-01 1.L20 HD22 = 0.94(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6898e-01 1.L20 HD23 = 0.94(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6898e-01 1.L20 N = 119.86(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0808e-01 1.L21 C = 179.05(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9815e-01 1.L21 CA = 58.11(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4240e-01 1.L21 CB = 41.27(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8013e-01 1.L21 CG = 27.07(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.9206e-01 1.L21 CD1 = 24.20(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.4363e-01 1.L21 CD2 = 23.66(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.1855e-01 1.L21 H = 8.08(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1749e-01 1.L21 HA = 3.93(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.0666e-01 1.L21 HB2 = 1.71(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.6867e-01 1.L21 HB3 = 1.50(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.5570e-01 1.L21 HG = 1.43(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.0845e-01 1.L21 HD11 = 0.37(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7474e-01 1.L21 HD12 = 0.37(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7474e-01 1.L21 HD13 = 0.37(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7474e-01 1.L21 HD21 = 0.42(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8509e-01 1.L21 HD22 = 0.42(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8509e-01 1.L21 HD23 = 0.42(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8509e-01 1.L21 N = 120.96(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1749e-01 1.K22 C = 180.12(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.1859e-02 1.K22 CA = 59.28(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.8956e-01 1.K22 CB = 31.46(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.5495e-01 1.K22 CG = 24.64(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.2491e-01 1.K22 CD = 28.22(D), Expected = 28.96, Std = 1.0800, ChiSquare = 4.9323e-01 1.K22 H = 8.21(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7341e-01 1.K22 HA = 4.22(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.0953e-01 1.K22 HB2 = 2.04(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.9834e-01 1.K22 HB3 = 2.04(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.6652e-01 1.K22 N = 120.49(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.8192e-01 1.L23 C = 179.73(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6641e-01 1.L23 CA = 57.68(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3348e-01 1.L23 CB = 41.63(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1757e-01 1.L23 CG = 26.93(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.9153e-01 1.L23 CD1 = 25.03(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.4542e-01 1.L23 CD2 = 23.46(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.2855e-01 1.L23 H = 8.07(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0556e-01 1.L23 HA = 4.25(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.8160e-01 1.L23 HB2 = 2.02(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.2786e-01 1.L23 HB3 = 1.73(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.5967e-01 1.L23 HG = 1.87(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.7531e-01 1.L23 HD11 = 1.02(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.3490e-01 1.L23 HD12 = 1.02(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.3490e-01 1.L23 HD13 = 1.02(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.3490e-01 1.L23 HD21 = 0.99(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6996e-01 1.L23 HD22 = 0.99(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6996e-01 1.L23 HD23 = 0.99(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6996e-01 1.L23 N = 120.96(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1749e-01 1.H24 C = 177.31(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.9571e-01 1.H24 CA = 59.62(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.7960e-01 1.H24 CB = 31.64(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.9883e-01 1.H24 H = 8.38(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.3688e-01 1.H24 HA = 4.62(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.8145e-01 1.H24 HB2 = 3.33(D), Expected = 3.10, Std = 0.3600, ChiSquare = 5.2290e-01 1.H24 HB3 = 3.17(D), Expected = 3.04, Std = 0.3800, ChiSquare = 7.3227e-01 1.H24 N = 121.53(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.4552e-01 1.E25 C = 177.58(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1578e-01 1.E25 CA = 60.20(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.6821e-01 1.E25 CB = 29.56(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9361e-01 1.E25 CG = 35.96(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.9969e-01 1.E25 H = 8.68(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.5303e-01 1.E25 HA = 3.88(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.6682e-01 1.E25 N = 119.51(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3888e-01 1.E26 CA = 58.95(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.3545e-01 1.E26 CB = 29.04(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.7279e-01 1.E26 CG = 35.96(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.9969e-01 1.E26 H = 7.48(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4968e-01 1.E26 HA = 3.97(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.9465e-01 1.E26 N = 116.09(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8814e-01 1.R27 C = 180.14(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.6145e-02 1.R27 CA = 59.29(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7531e-01 1.R27 CB = 29.43(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.8769e-01 1.R27 CG = 27.86(D), Expected = 27.21, Std = 1.2000, ChiSquare = 5.8805e-01 1.R27 CD = 43.19(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.7280e-01 1.R27 H = 7.79(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.6069e-01 1.R27 HA = 4.00(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.1429e-01 1.R27 HB2 = 1.99(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.5885e-01 1.R27 HB3 = 1.99(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.1140e-01 1.R27 HG2 = 1.69(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.5672e-01 1.R27 N = 118.42(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.1780e-01 1.L28 C = 179.03(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.0287e-01 1.L28 CA = 57.27(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3855e-01 1.L28 CB = 40.66(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.8013e-01 1.L28 CG = 26.090(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.3048e-01 1.L28 CD1 = 24.92(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.9990e-01 1.L28 CD2 = 22.14(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.6121e-01 1.L28 H = 8.48(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0052e-01 1.L28 HA = 3.87(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.3834e-01 1.L28 HB2 = 2.02(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.2786e-01 1.L28 HB3 = 1.17(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.3094e-01 1.L28 HG = 1.37(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.7139e-01 1.L28 HD11 = 0.59(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 1.L28 HD12 = 0.59(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 1.L28 HD13 = 0.59(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 1.L28 HD21 = 0.25(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7890e-02 1.L28 HD22 = 0.25(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7890e-02 1.L28 HD23 = 0.25(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7890e-02 1.L28 N = 119.47(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.4000e-01 1.K29 C = 177.43(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.9284e-01 1.K29 CA = 58.50(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8109e-01 1.K29 CB = 32.81(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.9104e-01 1.K29 CG = 26.15(D), Expected = 24.89, Std = 1.1300, ChiSquare = 2.6483e-01 1.K29 CD = 29.36(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.1111e-01 1.K29 H = 7.84(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.5967e-01 1.K29 HA = 4.00(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.3946e-01 1.K29 HB2 = 1.75(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.0448e-01 1.K29 HB3 = 1.75(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.7046e-01 1.K29 N = 117.64(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.6573e-01 1.K30 C = 175.99(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.4518e-01 1.K30 CA = 55.79(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.9800e-01 1.K30 CB = 33.07(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7501e-01 1.K30 CG = 25.05(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.8740e-01 1.K30 CD = 28.94(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.8523e-01 1.K30 H = 7.26(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.2114e-01 1.K30 HA = 4.43(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1613e-01 1.K30 HB2 = 2.12(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.7383e-01 1.K30 HB3 = 1.82(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.6700e-01 1.K30 HG2 = 1.65(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.8151e-01 1.K30 HG3 = 1.55(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.7505e-01 1.K30 N = 116.78(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.5737e-01 1.L31 C = 182.46(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.7338e-03 1.L31 CA = 57.24(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.4692e-01 1.L31 CB = 43.00(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1360e-01 1.L31 CG = 26.77(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.9275e-01 1.L31 CD1 = 26.59(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.3955e-01 1.L31 CD2 = 23.61(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.9577e-01 1.L31 H = 7.15(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6605e-02 1.L31 HA = 4.14(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.0174e-01 1.L31 HB2 = 1.83(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.1759e-01 1.L31 HB3 = 1.61(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.0259e-01 1.L31 HG = 1.92(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.1408e-01 1.L31 HD11 = 0.93(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2032e-01 1.L31 HD12 = 0.93(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2032e-01 1.L31 HD13 = 0.93(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2032e-01 1.L31 HD21 = 0.92(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L31 HD22 = 0.92(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L31 HD23 = 0.92(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 1.L31 N = 125.84(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0749e-01