Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.25 D 0.23 Y 0.18 I 0.11 L 0.09 N 0.09 K 0.02 C Shift Assignments>> C :: 167.362(S) CA :: 40.410(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.557(D) CA :: 55.403(D) CB :: 61.191(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.519 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 :: 115.364 Ave N Shift Values>> N :: 116.28(3.52) 1.H3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.48 R 0.16 K 0.16 P 0.07 Q 0.05 H 0.04 C Shift Assignments>> C :: 171.545(D) CA :: 52.515(D) CB :: 25.833(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 :: 8.611(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 :: 120.547(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 R 0.2 Q 0.18 M 0.12 K 0.1 E 0.09 P 0.01 C Shift Assignments>> C :: 173.094(D) CA :: 52.721(D) CB :: 29.953(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 :: 8.316(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 :: 122.020(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 M 0.17 G 0.01 C Shift Assignments>> C :: 174.532(D) CA :: 49.738(D) CB :: 16.179(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.292(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.194(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.75 M 0.1 E 0.03 Y 0.02 F 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 172.562(D) CA :: 50.488(D) CB :: 36.298(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 :: 8.121(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 :: 118.668(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 M 0.19 E 0.05 Q 0.03 K 0.03 P 0.02 Y 0.02 F 0.01 HN Overlap>> 1.E29 1.E29 C Shift Assignments>> C :: 172.258(D) CA :: 50.704(D) CB :: 35.787(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 :: 8.149(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 :: 119.441(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 Q 0.23 R 0.2 E 0.12 M 0.1 K 0.03 L 0.01 C Shift Assignments>> C :: 173.723(D) CA :: 53.672(D) CB :: 29.562(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 :: 7.988(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 :: 120.563(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 E 0.1 M 0.09 Y 0.06 F 0.04 D 0.03 K 0.01 C Shift Assignments>> C :: 174.051(D) CA :: 52.871(D) CB :: 36.829(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 :: 7.952(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.020(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.31 N 0.29 M 0.18 G 0.08 Q 0.04 K 0.02 E 0.01 H 0.01 Y 0.01 C Shift Assignments>> C :: 172.896(D) CA :: 49.343(D) CB :: 35.209(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 :: 8.275(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 :: 120.563(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.23 E 0.22 H 0.21 R 0.18 M 0.05 I 0.03 K 0.03 L 0.01 HN Overlap>> 1.Q36 1.Q36 C Shift Assignments>> C :: 175.699(D) CA :: 57.046(D) CB :: 29.286(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 :: 8.189(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 :: 118.987(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.44 L 0.44 R 0.05 Q 0.02 I 0.01 H 0.01 C Shift Assignments>> C :: 176.658(D) CA :: 56.344(D) CB :: 24.749(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 :: 8.025(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 :: 119.268(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 K 0.42 R 0.03 Q 0.01 HN Overlap>> 1.L48 1.L48 C Shift Assignments>> C :: 174.583(D) CA :: 55.894(D) CB :: 24.379(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.356(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.253(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 K 0.33 R 0.15 Q 0.05 H 0.03 I 0.01 E 0.01 C Shift Assignments>> C :: 175.607(D) CA :: 55.836(D) CB :: 25.536(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.471(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.748(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.32 N 0.17 E 0.15 Q 0.13 K 0.1 Y 0.03 H 0.02 F 0.01 R 0.01 HN Overlap>> 1.D57 1.D57 C Shift Assignments>> C :: 174.393(D) CA :: 53.217(D) CB :: 35.344(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 :: 8.090(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.009(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.42 C Shift Assignments>> C :: 175.482(D) CA :: 52.671(D) CB :: 15.217(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.853(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.748(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.42 M 0.13 Y 0.12 K 0.08 I 0.07 F 0.06 Q 0.05 C Shift Assignments>> C :: 173.490(D) CA :: 58.074(D) CB :: 35.880(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 :: 8.037(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 :: 117.869(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.34 I 0.14 Y 0.12 M 0.11 K 0.1 Q 0.07 F 0.05 H 0.01 R 0.01 C Shift Assignments>> C :: 176.245(D) CA :: 59.470(D) CB :: 35.499(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 :: 8.021(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 :: 117.383(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 L 0.32 R 0.16 Q 0.05 I 0.03 H 0.03 E 0.01 C Shift Assignments>> C :: 177.044(D) CA :: 56.889(D) CB :: 25.532(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 :: 8.477(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.570(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.33 I 0.3 K 0.09 Q 0.06 Y 0.04 E 0.04 M 0.04 R 0.02 F 0.01 H 0.01 C Shift Assignments>> C :: 175.040(D) CA :: 62.495(D) CB :: 34.277(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 :: 8.308(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 :: 119.716(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 D 0.21 Y 0.14 F 0.13 L 0.07 I 0.01 C Shift Assignments>> C :: 174.230(D) CA :: 54.364(D) CB :: 38.968(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 :: 7.725(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 :: 117.245(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.47 R 0.2 K 0.17 Q 0.06 H 0.04 P 0.01 E 0.01 C Shift Assignments>> C :: 171.578(D) CA :: 53.094(D) CB :: 25.969(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 :: 7.090(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 :: 111.870(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.84 D 0.05 Y 0.02 F 0.02 M 0.02 E 0.01 C Shift Assignments>> C :: 174.622(D) CA :: 50.511(D) CB :: 37.441(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 :: 7.059(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.613(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.58 P 0.15 E 0.06 R 0.05 K 0.04 H 0.04 Q 0.03 C Shift Assignments>> C :: 175.211(D) CA :: 62.328(D) CB :: 29.625(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.N25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.62 M 0.16 P 0.06 E 0.02 Q 0.02 K 0.02 Y 0.02 G 0.01 F 0.01 C Shift Assignments>> C :: 173.332(D) CA :: 49.825(D) CB :: 35.790(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 :: 8.724(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 :: 113.711(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.35 L 0.11 F 0.04 Y 0.03 K 0.01 C Shift Assignments>> C :: 173.617(D) CA :: 51.270(D) CB :: 40.390(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 :: 6.361(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 :: 117.221(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 N 0.13 M 0.03 P 0.01 C Shift Assignments>> C :: 172.836(D) CA :: 48.330(D) CB :: 35.731(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 :: 8.433(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 :: 119.305(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.41 L 0.36 R 0.11 Q 0.04 I 0.02 H 0.02 C Shift Assignments>> C :: 174.915(D) CA :: 56.738(D) CB :: 25.234(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 :: 8.462(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.107(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.46 L 0.45 R 0.03 Q 0.01 I 0.01 H 0.01 HN Overlap>> 1.N7 1.N7 C Shift Assignments>> C :: 177.418(D) CA :: 56.642(D) CB :: 24.433(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 :: 8.061(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 :: 119.425(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 R 0.23 K 0.2 Q 0.08 H 0.05 E 0.01 I 0.01 C Shift Assignments>> C :: 176.238(D) CA :: 55.093(D) CB :: 26.038(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.525(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.236(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 K 0.15 I 0.14 L 0.14 H 0.13 E 0.13 R 0.07 M 0.01 C Shift Assignments>> C :: 174.739(D) CA :: 57.988(D) CB :: 27.653(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 :: 8.510(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 :: 119.585(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.N32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.36 Q 0.22 K 0.14 E 0.08 N 0.08 H 0.03 R 0.03 Y 0.01 C Shift Assignments>> C :: 175.618(D) CA :: 53.051(D) CB :: 34.758(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 :: 8.465(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 :: 115.679(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.39 L 0.28 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.863(D) CA :: 44.257(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.903(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.219(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 E 0.25 Y 0.25 F 0.15 M 0.03 K 0.01 C Shift Assignments>> C :: 175.240(D) CA :: 59.451(D) CB :: 36.906(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 :: 7.687(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.332(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.25 K 0.2 Q 0.14 M 0.1 I 0.1 R 0.06 H 0.04 E 0.03 Y 0.02 C Shift Assignments>> C :: 174.927(D) CA :: 61.444(D) CB :: 33.733(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 :: 8.111(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 :: 118.891(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.41 K 0.38 R 0.11 Q 0.04 H 0.02 I 0.01 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 175.852(D) CA :: 56.002(D) CB :: 25.252(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.220(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 :: 119.021(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 1 C Shift Assignments>> C :: 172.981(D) CA :: 59.744(D) CB :: 60.687(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.931(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 :: 115.510(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 N 0.22 F 0.18 Y 0.18 L 0.12 I 0.01 C Shift Assignments>> C :: 175.127(D) CA :: 55.155(D) CB :: 39.554(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 :: 8.117(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.277(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.47 R 0.31 M 0.2 HN Overlap>> 1.D40 1.D40 C Shift Assignments>> C :: 176.277(D) CA :: 56.765(D) CB :: 29.697(D) CD :: 29.763 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 :: 7.930(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 :: 115.887(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 M 0.19 E 0.12 Y 0.04 K 0.04 Q 0.03 F 0.02 D 0.01 HN Overlap>> 1.K39 1.K39 C Shift Assignments>> C :: 173.451(D) CA :: 52.376(D) CB :: 36.069(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 :: 7.898(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.933(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 N 0.14 M 0.03 P 0.01 C Shift Assignments>> C :: 169.218(S) CA :: 48.331(D) CB :: 35.799(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 :: 7.681(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.193(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.79 K 0.04 E 0.04 H 0.03 R 0.03 P 0.02 Q 0.02 C Shift Assignments>> C :: 175.879(D) CA :: 62.377(D) CB :: 28.778(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.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.370(D) CA :: 58.119(D) CB :: 59.853(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.061(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 :: 112.336(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 K 0.22 R 0.06 P 0.04 Q 0.02 H 0.01 C Shift Assignments>> C :: 173.397(D) CA :: 52.308(D) CB :: 25.033(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 :: 7.765(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.161(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 1 C Shift Assignments>> C :: 171.521(D) CA :: 60.770(D) CB :: 59.902(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.639(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 :: 115.422(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.37 I 0.01 C Shift Assignments>> C :: 178.215(D) CA :: 52.767(D) CB :: 14.865(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.377(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.876(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 N 0.17 Q 0.15 E 0.12 K 0.11 Y 0.02 H 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 175.084(D) CA :: 52.976(D) CB :: 35.216(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 :: 7.784(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.583(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 N 0.24 F 0.17 Y 0.17 L 0.11 I 0.01 HN Overlap>> 1.Q13 1.Q13 C Shift Assignments>> C :: 175.621(D) CA :: 55.015(D) CB :: 39.529(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 :: 8.394(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 :: 121.317(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.28 D 0.19 Y 0.19 F 0.18 L 0.08 I 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 175.239(D) CA :: 55.103(D) CB :: 38.955(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 :: 8.310(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 :: 118.657(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.41 I 0.01 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 178.512(D) CA :: 52.468(D) CB :: 14.870(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.481(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.835(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.37 K 0.31 R 0.17 Q 0.06 H 0.03 I 0.01 E 0.01 C Shift Assignments>> C :: 176.010(D) CA :: 55.813(D) CB :: 25.621(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 :: 7.942(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.818(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.39 I 0.01 C Shift Assignments>> C :: 176.621(D) CA :: 52.427(D) CB :: 14.586(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.195(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.856(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.23 Q 0.22 H 0.21 R 0.18 M 0.06 K 0.04 I 0.04 C Shift Assignments>> C :: 175.842(D) CA :: 57.406(D) CB :: 29.493(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 :: 8.354(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 :: 118.190(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.22 E 0.22 H 0.21 R 0.19 M 0.06 K 0.04 I 0.02 HN Overlap>> 1.A50 1.A50 C Shift Assignments>> C :: 176.949(D) CA :: 56.906(D) CB :: 29.548(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 :: 7.552(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 :: 119.806(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.29 D 0.24 F 0.16 Y 0.16 L 0.1 I 0.01 C Shift Assignments>> C :: 175.220(D) CA :: 54.796(D) CB :: 39.294(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 :: 7.696(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 :: 121.773(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.29 D 0.2 Y 0.19 F 0.18 L 0.08 I 0.01 E 0.01 C Shift Assignments>> C :: 174.856(D) CA :: 55.038(D) CB :: 39.002(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 :: 8.420(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 :: 116.719(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.26 M 0.26 E 0.2 K 0.07 Q 0.07 Y 0.05 F 0.03 H 0.01 HN Overlap>> 1.N15 1.N15 C Shift Assignments>> C :: 175.522(D) CA :: 53.455(D) CB :: 35.793(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 :: 8.136(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 :: 118.030(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.63 M 0.36 C Shift Assignments>> C :: 176.417(D) CA :: 51.415(D) CB :: 15.613(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.884(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.077(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 K 0.2 R 0.07 P 0.07 Q 0.02 H 0.02 C Shift Assignments>> C :: 171.257(D) CA :: 52.179(D) CB :: 25.206(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 :: 7.332(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 :: 114.954(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 A 0.09 M 0.01 C Shift Assignments>> C :: 172.716(D) CA :: 48.207(D) CB :: 14.886(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.940(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.237(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.36 K 0.15 E 0.14 H 0.1 Q 0.1 R 0.09 M 0.01 C Shift Assignments>> C :: 173.762(D) CA :: 60.411(D) CB :: 28.972(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.K62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.26 R 0.21 Q 0.18 M 0.14 E 0.11 K 0.06 C Shift Assignments>> C :: 177.214(D) CA :: 53.501(D) CB :: 30.261(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 :: 8.224(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 :: 124.918(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 60 #Suspicious: 1 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 61 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 62 #Suspicious: 0 C Shift Results: #Consistent: 1 #Duplicate: 181 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 1 #Duplicate: 57 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 1 #Duplicate: 57 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G1 Typing: Mistyped 1.G1 C = 167.362(S), Expected = 173.87, Std = 1.8800, ChiSquare = 5.3677e-04 1.G1 CA = 40.410(S), Expected = 45.35, Std = 1.3400, ChiSquare = 2.2730e-04 1.S2 C = 171.557(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.4943e-02 1.S2 CA = 55.403(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0906e-01 1.S2 CB = 61.191(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7928e-02 1.H3 C = 171.545(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.0012e-02 1.H3 CA = 52.515(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.2960e-02 1.H3 CB = 25.833(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.3255e-02 1.H3 H = 8.611(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.8535e-01 1.H3 N = 120.547(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.3035e-01 1.M4 C = 173.094(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.3979e-01 1.M4 CA = 52.721(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.2858e-01 1.M4 CB = 29.953(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.7516e-01 1.M4 H = 8.316(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2564e-01 1.M4 N = 122.020(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.8877e-01 1.A5 C = 174.532(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.3204e-01 1.A5 CA = 49.738(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5764e-02 1.A5 CB = 16.179(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.2186e-01 1.A5 H = 8.292(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7814e-01 1.A5 N = 125.194(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7903e-01 1.D6 C = 172.562(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.8297e-02 1.D6 CA = 50.488(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.8457e-02 1.D6 CB = 36.298(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.6782e-03 1.D6 H = 8.121(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4453e-01 1.D6 N = 118.668(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.0762e-01 1.N7 C = 172.258(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2437e-02 1.N7 CA = 50.704(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3142e-01 1.N7 CB = 35.787(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.5842e-02 1.N7 H = 8.149(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.6176e-01 1.N7 N = 119.441(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.9910e-01 1.K8 C = 173.723(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.4470e-01 1.K8 CA = 53.672(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.3622e-01 1.K8 CB = 29.562(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.9757e-02 1.K8 H = 7.988(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.3637e-01 1.K8 N = 120.563(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9722e-01 1.F9 C = 174.051(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.9149e-01 1.F9 CA = 52.871(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.2678e-02 1.F9 CB = 36.829(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.3042e-01 1.F9 H = 7.952(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.7094e-01 1.F9 N = 120.020(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1807e-01 1.N10 C = 172.896(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.8475e-01 1.N10 CA = 49.343(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5585e-02 1.N10 CB = 35.209(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.9421e-02 1.N10 H = 8.275(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.1782e-01 1.N10 N = 120.563(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.8532e-01 1.K11 C = 175.699(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.3800e-01 1.K11 CA = 57.046(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.6519e-01 1.K11 CB = 29.286(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.9006e-02 1.K11 H = 8.189(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.9867e-01 1.K11 N = 118.987(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.8423e-01 1.E12 C = 176.658(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.1343e-01 1.E12 CA = 56.344(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.4051e-01 1.E12 CB = 24.749(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.2228e-03 1.E12 H = 8.025(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.0519e-01 1.E12 N = 119.268(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8704e-01 1.Q13 C = 174.583(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.7581e-01 1.Q13 CA = 55.894(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.5209e-01 1.Q13 CB = 24.379(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.2076e-03 1.Q13 H = 8.356(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.1770e-01 1.Q13 N = 121.253(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.0498e-01 1.Q14 C = 175.607(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.1846e-01 1.Q14 CA = 55.836(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3161e-01 1.Q14 CB = 25.536(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.4676e-02 1.Q14 H = 8.471(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.7053e-01 1.Q14 N = 118.748(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.5107e-01 1.N15 C = 174.393(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.2417e-01 1.N15 CA = 53.217(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.6359e-01 1.N15 CB = 35.344(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.7717e-02 1.N15 H = 8.090(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.9150e-01 1.N15 N = 118.009(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.1923e-01 1.A16 C = 175.482(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8910e-01 1.A16 CA = 52.671(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1276e-01 1.A16 CB = 15.217(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.8202e-02 1.A16 H = 7.853(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.6304e-01 1.A16 N = 122.748(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9170e-01 1.F17 C = 173.490(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.3212e-01 1.F17 CA = 58.074(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.9814e-01 1.F17 CB = 35.880(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.9240e-02 1.F17 H = 8.037(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.5371e-01 1.F17 N = 117.869(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.3693e-01 1.Y18 C = 176.245(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.7111e-01 1.Y18 CA = 59.470(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.9344e-01 1.Y18 CB = 35.499(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.6897e-02 1.Y18 H = 8.021(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.8211e-01 1.Y18 N = 117.383(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.5512e-01 1.E19 C = 177.044(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.2890e-01 1.E19 CA = 56.889(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.3662e-01 1.E19 CB = 25.532(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.2280e-03 1.E19 H = 8.477(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.0324e-01 1.E19 N = 118.570(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4621e-01 1.I20 C = 175.040(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.7312e-01 1.I20 CA = 62.495(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.4123e-01 1.I20 CB = 34.277(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.1166e-02 1.I20 H = 8.308(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.6716e-01 1.I20 N = 119.716(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8366e-01 1.L21 C = 174.230(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.6334e-01 1.L21 CA = 54.364(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.5541e-01 1.L21 CB = 38.968(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5460e-02 1.L21 H = 7.725(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3720e-01 1.L21 N = 117.245(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3668e-01 1.H22 C = 171.578(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.2328e-02 1.H22 CA = 53.094(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.3804e-01 1.H22 CB = 25.969(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.9086e-02 1.H22 H = 7.090(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.0803e-02 1.H22 N = 111.870(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.0583e-02 1.L23 C = 174.622(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.3171e-01 1.L23 CA = 50.511(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.6458e-02 1.L23 CB = 37.441(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.6006e-03 1.L23 H = 7.059(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1618e-02 1.L23 N = 124.613(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.8025e-01 1.P24 C = 175.211(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.0811e-01 1.P24 CA = 62.328(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.0976e-01 1.P24 CB = 29.625(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.9350e-02 1.N25 C = 173.332(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.7895e-01 1.N25 CA = 49.825(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.8148e-02 1.N25 CB = 35.790(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.6166e-02 1.N25 H = 8.724(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.4218e-01 1.N25 N = 113.711(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.9531e-01 1.L26 C = 173.617(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.8468e-02 1.L26 CA = 51.270(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1126e-02 1.L26 CB = 40.390(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.0712e-01 1.L26 H = 6.361(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0354e-03 1.L26 N = 117.221(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3425e-01 1.N27 C = 172.836(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.7390e-01 1.N27 CA = 48.330(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.5837e-03 1.N27 CB = 35.731(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.9965e-02 1.N27 H = 8.433(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.8264e-01 1.N27 N = 119.305(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.2586e-01 1.E28 C = 174.915(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.1607e-01 1.E28 CA = 56.738(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8065e-01 1.E28 CB = 25.234(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.4906e-03 1.E28 H = 8.462(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2297e-01 1.E28 N = 118.107(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.6143e-01 1.E29 C = 177.418(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.7869e-01 1.E29 CA = 56.642(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.4563e-01 1.E29 CB = 24.433(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.1851e-03 1.E29 H = 8.061(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4844e-01 1.E29 N = 119.425(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.2052e-01 1.Q30 C = 176.238(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.7055e-01 1.Q30 CA = 55.093(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.9008e-01 1.Q30 CB = 26.038(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.3297e-02 1.Q30 H = 8.525(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.0519e-01 1.Q30 N = 120.236(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.2343e-01 1.R31 C = 174.739(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.1042e-01 1.R31 CA = 57.988(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9800e-01 1.R31 CB = 27.653(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.5907e-02 1.R31 H = 8.510(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.5804e-01 1.R31 N = 119.585(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.4128e-01 1.N32 C = 175.618(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.4585e-01 1.N32 CA = 53.051(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.9478e-01 1.N32 CB = 34.758(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.9985e-02 1.N32 H = 8.465(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4272e-01 1.N32 N = 115.679(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.1984e-01 1.G33 C = 173.863(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.9703e-01 1.G33 CA = 44.257(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.1469e-01 1.G33 H = 7.903(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1123e-01 1.G33 N = 108.219(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0771e-01 1.F34 C = 175.240(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.2793e-01 1.F34 CA = 59.451(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.9371e-01 1.F34 CB = 36.906(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.4005e-01 1.F34 H = 7.687(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.4993e-01 1.F34 N = 120.332(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.7748e-01 1.I35 C = 174.927(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.3071e-01 1.I35 CA = 61.444(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.5061e-01 1.I35 CB = 33.733(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.5340e-02 1.I35 H = 8.111(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0372e-01 1.I35 N = 118.891(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.4835e-01 1.Q36 C = 175.852(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.1431e-01 1.Q36 CA = 56.002(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.9069e-01 1.Q36 CB = 25.252(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.0485e-02 1.Q36 H = 8.220(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.0000e+00 1.Q36 N = 119.021(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.0925e-01 1.S37 C = 172.981(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.4064e-01 1.S37 CA = 59.744(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.2082e-01 1.S37 CB = 60.687(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.5433e-02 1.S37 H = 7.931(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.5417e-01 1.S37 N = 115.510(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2684e-01 1.L38 C = 175.127(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4675e-01 1.L38 CA = 55.155(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.2719e-01 1.L38 CB = 39.554(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.4266e-01 1.L38 H = 8.117(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6199e-01 1.L38 N = 124.277(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3543e-01 1.K39 C = 176.277(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.5598e-01 1.K39 CA = 56.765(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.3298e-01 1.K39 CB = 29.697(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2274e-02 1.K39 H = 7.930(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6477e-01 1.K39 N = 115.887(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.7084e-01 1.D40 C = 173.451(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.1961e-02 1.D40 CA = 52.376(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.5433e-01 1.D40 CB = 36.069(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.9804e-03 1.D40 H = 7.898(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.7749e-01 1.D40 N = 115.933(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.2170e-01 1.D41 C = 169.218(S), Expected = 176.40, Std = 1.7500, ChiSquare = 4.0607e-05 1.D41 CA = 48.331(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7332e-03 1.D41 CB = 35.799(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7102e-03 1.D41 H = 7.681(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.7815e-01 1.D41 N = 115.193(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.5744e-01 1.P42 C = 175.879(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.6406e-01 1.P42 CA = 62.377(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.3068e-01 1.P42 CB = 28.778(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.2307e-03 1.S43 C = 173.370(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.6738e-01 1.S43 CA = 58.119(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.7156e-01 1.S43 CB = 59.853(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.6556e-03 1.S43 H = 8.061(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.1050e-01 1.S43 N = 112.336(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.6252e-01 1.Q44 C = 173.397(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.3522e-01 1.Q44 CA = 52.308(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.6416e-02 1.Q44 CB = 25.033(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.2368e-02 1.Q44 H = 7.765(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.4060e-01 1.Q44 N = 120.161(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3999e-01 1.S45 C = 171.521(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.1586e-02 1.S45 CA = 60.770(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.2201e-01 1.S45 CB = 59.902(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4439e-03 1.S45 H = 7.639(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.7728e-01 1.S45 N = 115.422(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0742e-01 1.A46 C = 178.215(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.2353e-01 1.A46 CA = 52.767(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5058e-01 1.A46 CB = 14.865(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.3511e-02 1.A46 H = 8.377(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6799e-01 1.A46 N = 122.876(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2034e-01 1.N47 C = 175.084(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.1724e-01 1.N47 CA = 52.976(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.6418e-01 1.N47 CB = 35.216(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.9819e-02 1.N47 H = 7.784(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.7749e-01 1.N47 N = 118.583(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.3138e-01 1.L48 C = 175.621(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.8931e-01 1.L48 CA = 55.015(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7638e-01 1.L48 CB = 39.529(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.3907e-01 1.L48 H = 8.394(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0080e-01 1.L48 N = 121.317(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8927e-01 1.L49 C = 175.239(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.7651e-01 1.L49 CA = 55.103(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0822e-01 1.L49 CB = 38.955(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4330e-02 1.L49 H = 8.310(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0205e-01 1.L49 N = 118.657(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.1149e-01 1.A50 C = 178.512(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.1702e-01 1.A50 CA = 52.468(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3431e-01 1.A50 CB = 14.870(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.3679e-02 1.A50 H = 7.481(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3079e-01 1.A50 N = 119.835(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.3754e-01 1.E51 C = 176.010(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.5919e-01 1.E51 CA = 55.813(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7088e-01 1.E51 CB = 25.621(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.0719e-02 1.E51 H = 7.942(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1078e-01 1.E51 N = 118.818(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.9460e-01 1.A52 C = 176.621(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.9934e-01 1.A52 CA = 52.427(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.1877e-01 1.A52 CB = 14.586(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.5628e-02 1.A52 H = 8.195(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9335e-01 1.A52 N = 123.856(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5964e-01 1.K53 C = 175.842(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.8989e-01 1.K53 CA = 57.406(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.3580e-01 1.K53 CB = 29.493(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.3991e-02 1.K53 H = 8.354(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8460e-01 1.K53 N = 118.190(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4808e-01 1.K54 C = 176.949(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.7722e-01 1.K54 CA = 56.906(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.8404e-01 1.K54 CB = 29.548(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.8554e-02 1.K54 H = 7.552(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.8763e-01 1.K54 N = 119.806(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.4142e-01 1.L55 C = 175.220(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.7135e-01 1.L55 CA = 54.796(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.9886e-01 1.L55 CB = 39.294(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.0866e-01 1.L55 H = 7.696(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1134e-01 1.L55 N = 121.773(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8220e-01 1.N56 C = 174.856(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.1709e-01 1.N56 CA = 55.038(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.2556e-01 1.N56 CB = 39.002(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.5353e-01 1.N56 H = 8.420(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9895e-01 1.N56 N = 116.719(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.8326e-01 1.D57 C = 175.522(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.1587e-01 1.D57 CA = 53.455(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.4294e-01 1.D57 CB = 35.793(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6888e-03 1.D57 H = 8.136(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.6418e-01 1.D57 N = 118.030(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.9729e-01 1.A58 C = 176.417(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.3452e-01 1.A58 CA = 51.415(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8364e-01 1.A58 CB = 15.613(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.3413e-02 1.A58 H = 7.884(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9842e-01 1.A58 N = 123.077(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6553e-01 1.Q59 C = 171.257(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.5619e-03 1.Q59 CA = 52.179(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.0182e-02 1.Q59 CB = 25.206(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.8596e-02 1.Q59 H = 7.332(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.3230e-01 1.Q59 N = 114.954(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.7034e-01 1.A60 C = 172.716(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.8340e-02 1.A60 CA = 48.207(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2724e-02 1.A60 CB = 14.886(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.4224e-02 1.A60 H = 6.940(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5729e-02 1.A60 N = 124.237(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7606e-01 1.P61 C = 173.762(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.7838e-02 1.P61 CA = 60.411(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.4808e-02 1.P61 CB = 28.972(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.4729e-02 1.K62 C = 177.214(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.7411e-01 1.K62 CA = 53.501(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1694e-01 1.K62 CB = 30.261(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.5538e-01 1.K62 H = 8.224(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.5481e-01 1.K62 N = 124.918(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.0489e-01