Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.R1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.3 CA :: 58.4 CB :: 63.9 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.93 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) 1.C3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.26 F 0.21 D 0.12 M 0.04 L 0.04 I 0.03 C Shift Assignments>> C :: 172.1(D) CA :: 55.2(D) CB :: 38.0(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.03 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.8 Ave N Shift Values>> N :: 120.17(4.64) 1.I4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 K 0.19 Y 0.15 R 0.13 C 0.12 I 0.07 L 0.07 D 0.01 G 0.01 C Shift Assignments>> C :: 175.5(D) CA :: 59.8(D) CB :: 42.3(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.78(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.2(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.27 K 0.17 F 0.08 Y 0.06 C 0.05 R 0.05 C Shift Assignments>> C :: 177.3(D) CA :: 54.5(D) CB :: 41.7(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.64(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 :: 123.2(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.2(D) CA :: 62.1(D) CB :: 68.6(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.50(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.5(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Y 0.28 F 0.2 I 0.16 M 0.03 K 0.01 HN Overlap>> 1.K30 1.K30 C Shift Assignments>> CA :: 58.3 CB :: 37.5 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 :: 7.25 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.0 Ave N Shift Values>> N :: 121.46(4.28) 1.P8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.72 C 0.21 I 0.02 C Shift Assignments>> C :: 177.4(D) CA :: 63.5(D) CB :: 31.8(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 K 0.15 R 0.14 H 0.11 M 0.1 Q 0.04 P 0.02 I 0.01 C Shift Assignments>> C :: 179.3(D) CA :: 59.8(D) CB :: 31.8(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 :: 8.36(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.9(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.1(D) CA :: 60.3(D) CB :: 62.2(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.46(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.7(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 H 0.21 C 0.17 Q 0.15 M 0.12 K 0.1 C Shift Assignments>> C :: 177.9(D) CA :: 56.3(D) CB :: 30.7(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 :: 8.14(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 :: 118.7(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.C12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 D 0.27 Y 0.16 F 0.14 L 0.06 M 0.04 C Shift Assignments>> C :: 174.3(D) CA :: 52.8(D) CB :: 38.1(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.99(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.3(D) CA :: 59.8(D) CB :: 71.0(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 :: 7.25(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.2(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.68 A 0.24 I 0.05 C 0.02 C Shift Assignments>> C :: 180.6(D) CA :: 55.5(D) CB :: 17.4(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.88(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 Y 0.17 F 0.17 C 0.15 C Shift Assignments>> C :: 178.6(D) CA :: 61.8(D) CB :: 39.3(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 :: 8.55(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 :: 116.8(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 C 0.2 Q 0.14 I 0.13 K 0.11 H 0.09 L 0.08 M 0.01 C Shift Assignments>> C :: 178.8(D) CA :: 58.3(D) CB :: 27.7(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.84(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.2(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Y 0.2 M 0.14 F 0.12 I 0.05 K 0.05 Q 0.02 D 0.01 C Shift Assignments>> C :: 175.9(D) CA :: 56.6(D) CB :: 36.6(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.53 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.5 Ave N Shift Values>> N :: 120.17(4.64) 1.K18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 K 0.21 M 0.18 R 0.14 H 0.12 Q 0.09 C Shift Assignments>> C :: 177.9(D) CA :: 57.5(D) CB :: 32.4(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 :: 7.56(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.4(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 Q 0.18 C 0.18 R 0.18 K 0.15 M 0.06 I 0.02 C Shift Assignments>> C :: 174.6(D) CA :: 57.4(D) CB :: 29.8(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 :: 7.80(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 :: 112.9(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.8 CA :: 55.9(D) CB :: 63.1(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.38(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 :: 114.7(D) Ave N Shift Values>> N :: 116.28(3.52) 1.M21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 R 0.18 K 0.17 H 0.15 M 0.12 Q 0.07 C Shift Assignments>> C :: 177.8(D) CA :: 58.5(D) CB :: 31.6(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 :: 9.15 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 :: 130.4 Ave N Shift Values>> N :: 120.09(3.57) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 R 0.18 H 0.15 K 0.15 M 0.12 Q 0.08 I 0.01 C Shift Assignments>> C :: 179.5(D) CA :: 58.7(D) CB :: 31.4(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 :: 8.33(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.8(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.58 C 0.22 Y 0.1 F 0.07 C Shift Assignments>> C :: 176.7(D) CA :: 62.6(D) CB :: 37.5(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.04(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.2(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 R 0.15 H 0.13 I 0.09 Q 0.08 K 0.07 M 0.04 P 0.02 C Shift Assignments>> C :: 177.0(D) CA :: 60.1(D) CB :: 30.5(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 :: 8.10(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.2(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.L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.2 K 0.19 R 0.1 F 0.09 Y 0.06 C 0.05 C Shift Assignments>> C :: 178.3(D) CA :: 55.2(D) CB :: 42.1(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 :: 8.28(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 :: 111.0(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.4(D) CA :: 59.9(D) CB :: 64.2(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.53(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.3(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.25 D 0.15 C 0.13 L 0.11 I 0.05 K 0.01 C Shift Assignments>> C :: 177.2(D) CA :: 56.8(D) CB :: 39.9(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 :: 7.52(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 :: 118.9(D) Ave N Shift Values>> N :: 120.45(4.18) 1.C28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.25 D 0.16 G 0.06 K 0.04 C 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 176.3(D) CA :: 53.9(D) CB :: 43.3(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.72(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.8(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 R 0.17 H 0.14 Q 0.1 I 0.08 K 0.07 M 0.05 P 0.01 C Shift Assignments>> C :: 177.9(D) CA :: 59.8(D) CB :: 30.5(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 :: 8.45(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 :: 118.7(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.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.16 R 0.15 H 0.12 M 0.11 Q 0.05 P 0.01 I 0.01 HN Overlap>> 1.I7 1.I7 C Shift Assignments>> C :: 181.3(D) CA :: 59.5(D) CB :: 31.8(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 :: 7.21 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 :: 116.1 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.1(D) CA :: 69.0(D) CB :: 67.5(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 :: 10.87(S) 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 :: 124.2(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 M 0.31 Q 0.14 K 0.11 Y 0.03 H 0.02 F 0.01 R 0.01 C Shift Assignments>> C :: 175.8(D) CA :: 53.4(D) CB :: 35.3(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.16(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.9(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.1(D) CA :: 46.9(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.88(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.8(D) CA :: 62.2(D) CB :: 68.1(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 :: 8.74(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 :: 115.4(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.21 F 0.16 Y 0.13 C 0.08 K 0.06 I 0.01 C Shift Assignments>> CA :: 55.2 CB :: 40.6 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.76(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.9(D) Ave N Shift Values>> N :: 120.17(4.64) ########################################################################### Overall Results: #Consistent: 3 #Clerical: 31 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 34 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 35 #Suspicious: 0 C Shift Results: #Consistent: 8 #Duplicate: 91 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 6 #Duplicate: 26 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 5 #Duplicate: 27 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.C3 C = 172.1(D), Expected = 174.95, Std = 2.0700, ChiSquare = 1.6857e-01 1.C3 CA = 55.2(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.5189e-01 1.C3 CB = 38.0(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.5924e-01 1.I4 C = 175.5(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.5535e-01 1.I4 CA = 59.8(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.9944e-01 1.I4 CB = 42.3(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.9243e-02 1.I4 H = 7.78(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.6216e-01 1.I4 N = 120.2(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.6846e-01 1.D5 C = 177.3(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.0705e-01 1.D5 CA = 54.5(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2543e-01 1.D5 CB = 41.7(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.1274e-01 1.D5 H = 8.64(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.6938e-01 1.D5 N = 123.2(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.0886e-01 1.T6 C = 174.2(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.4682e-01 1.T6 CA = 62.1(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.6305e-01 1.T6 CB = 68.6(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.8815e-01 1.T6 H = 9.50(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.2128e-02 1.T6 N = 112.5(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.3873e-01 1.P8 C = 177.4(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.6686e-01 1.P8 CA = 63.5(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.1095e-01 1.P8 CB = 31.8(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.6620e-01 1.K9 C = 179.3(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.8352e-01 1.K9 CA = 59.8(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.9516e-01 1.K9 CB = 31.8(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.7809e-01 1.K9 H = 8.36(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7692e-01 1.K9 N = 123.9(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4967e-01 1.S10 C = 176.1(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.8953e-01 1.S10 CA = 60.3(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.4529e-01 1.S10 CB = 62.2(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.7966e-01 1.S10 H = 8.46(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6030e-01 1.S10 N = 113.7(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.6359e-01 1.R11 C = 177.9(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.6295e-01 1.R11 CA = 56.3(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3877e-01 1.R11 CB = 30.7(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.0000e+00 1.R11 H = 8.14(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6978e-01 1.R11 N = 118.7(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6824e-01 1.C12 C = 174.3(D), Expected = 174.95, Std = 2.0700, ChiSquare = 7.5351e-01 1.C12 CA = 52.8(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.8606e-02 1.C12 CB = 38.1(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.5059e-01 1.C12 H = 7.99(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.5050e-01 1.C12 N = 122.4(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.3080e-01 1.T13 C = 174.3(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.9153e-01 1.T13 CA = 59.8(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.5012e-01 1.T13 CB = 71.0(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.3590e-01 1.T13 H = 7.25(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.1032e-01 1.T13 N = 110.2(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.7179e-01 1.A14 C = 180.6(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7936e-01 1.A14 CA = 55.5(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3329e-01 1.A14 CB = 17.4(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.7898e-01 1.A14 H = 8.88(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5707e-01 1.A14 N = 123.8(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.7208e-01 1.F15 C = 178.6(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.1005e-01 1.F15 CA = 61.8(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.4776e-01 1.F15 CB = 39.3(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.4129e-01 1.F15 H = 8.55(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.9187e-01 1.F15 N = 116.8(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.8255e-01 1.Q16 C = 178.8(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.0163e-01 1.Q16 CA = 58.3(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.1885e-01 1.Q16 CB = 27.7(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.1297e-01 1.Q16 H = 7.84(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.1953e-01 1.Q16 N = 119.2(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4800e-01 1.C17 C = 175.9(D), Expected = 174.95, Std = 2.0700, ChiSquare = 6.4628e-01 1.C17 CA = 56.6(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.0969e-01 1.C17 CB = 36.6(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.9406e-01 1.K18 C = 177.9(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.2869e-01 1.K18 CA = 57.5(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0259e-01 1.K18 CB = 32.4(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2657e-01 1.K18 H = 7.56(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9372e-01 1.K18 N = 115.4(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.3396e-01 1.H19 C = 174.6(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.4144e-01 1.H19 CA = 57.4(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.0324e-01 1.H19 CB = 29.8(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.3167e-01 1.H19 H = 7.80(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.1759e-01 1.H19 N = 112.9(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.9602e-02 1.S20 CA = 55.9(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7310e-01 1.S20 CB = 63.1(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.3623e-01 1.S20 H = 8.38(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.6541e-01 1.S20 N = 114.7(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5353e-01 1.M21 C = 177.8(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.3827e-01 1.M21 CA = 58.5(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.8383e-01 1.M21 CB = 31.6(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.3491e-01 1.K22 C = 179.5(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.5272e-01 1.K22 CA = 58.7(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2635e-01 1.K22 CB = 31.4(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.3486e-01 1.K22 H = 8.33(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.1550e-01 1.K22 N = 118.8(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5063e-01 1.Y23 C = 176.7(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.1358e-01 1.Y23 CA = 62.6(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.4933e-02 1.Y23 CB = 37.5(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.9946e-01 1.Y23 H = 8.04(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.0130e-01 1.Y23 N = 120.2(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.3927e-01 1.R24 C = 177.0(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.7133e-01 1.R24 CA = 60.1(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.4943e-01 1.R24 CB = 30.5(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.1297e-01 1.R24 H = 8.10(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.1847e-01 1.R24 N = 117.2(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.2795e-01 1.L25 C = 178.3(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.0822e-01 1.L25 CA = 55.2(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4368e-01 1.L25 CB = 42.1(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1106e-01 1.L25 H = 8.28(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3868e-01 1.L25 N = 111.0(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3591e-03 1.S26 C = 175.4(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.5020e-01 1.S26 CA = 59.9(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.6864e-01 1.S26 CB = 64.2(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.8695e-01 1.S26 H = 7.53(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.0366e-01 1.S26 N = 112.3(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.5819e-01 1.F27 C = 177.2(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.7107e-01 1.F27 CA = 56.8(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.1845e-01 1.F27 CB = 39.9(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.6565e-01 1.F27 H = 7.52(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.4334e-01 1.F27 N = 118.9(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.1078e-01 1.C28 C = 176.3(D), Expected = 174.95, Std = 2.0700, ChiSquare = 5.1429e-01 1.C28 CA = 53.9(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.8639e-01 1.C28 CB = 43.3(D), Expected = 32.49, Std = 6.0100, ChiSquare = 7.2071e-02 1.C28 H = 8.72(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.2234e-01 1.C28 N = 116.8(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.6766e-01 1.R29 C = 177.9(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.6295e-01 1.R29 CA = 59.8(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.8963e-01 1.R29 CB = 30.5(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.1297e-01 1.R29 H = 8.45(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.3065e-01 1.R29 N = 118.7(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6824e-01 1.K30 C = 181.3(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.9806e-02 1.K30 CA = 59.5(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4642e-01 1.K30 CB = 31.8(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.7809e-01 1.T31 C = 177.1(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.4579e-01 1.T31 CA = 69.0(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8509e-03 1.T31 CB = 67.5(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.7128e-01 1.T31 H = 10.87(S), Expected = 8.24, Std = 0.6200, ChiSquare = 2.2160e-05 1.T31 N = 124.2(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4542e-02 1.C32 C = 175.8(D), Expected = 174.95, Std = 2.0700, ChiSquare = 6.8135e-01 1.C32 CA = 53.4(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.4116e-01 1.C32 CB = 35.3(D), Expected = 32.49, Std = 6.0100, ChiSquare = 6.4010e-01 1.C32 H = 9.16(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.5045e-01 1.C32 N = 113.9(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.7660e-01 1.G33 C = 175.1(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.1295e-01 1.G33 CA = 46.9(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.4739e-01 1.G33 H = 7.88(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8874e-01 1.G33 N = 109.3(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2383e-01 1.T34 C = 173.8(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.7415e-01 1.T34 CA = 62.2(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.9384e-01 1.T34 CB = 68.1(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.1731e-01 1.T34 H = 8.74(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1998e-01 1.T34 N = 115.4(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.9664e-01 1.C35 H = 7.76(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.4706e-01 1.C35 N = 122.9(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.5629e-01