Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.66 C 0.26 R 0.01 K 0.01 E 0.01 H 0.01 C Shift Assignments>> CA :: 62.881(D) CB :: 31.710(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.E3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 R 0.16 E 0.16 C 0.13 K 0.11 M 0.07 C Shift Assignments>> CA :: 56.349(D) CB :: 29.935(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 :: 8.649(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.954(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.64 D 0.17 C 0.11 L 0.04 M 0.01 HN Overlap>> 1.C31 1.Q22 1.C31 1.Q22 C Shift Assignments>> CA :: 52.961(D) CB :: 38.608(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 :: 8.576(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 :: 120.939(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 M 0.2 C 0.18 Q 0.12 R 0.11 H 0.1 E 0.06 C Shift Assignments>> CA :: 56.488(D) CB :: 32.626(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 :: 8.465(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.520(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.11 C 0.03 R 0.02 HN Overlap>> 1.G11 1.G11 C Shift Assignments>> CA :: 45.168(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.468(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.564(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 61.889(D) CB :: 69.649(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 :: 8.132(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 :: 112.983(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.162(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.494(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.027(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.18 H 0.16 E 0.13 C 0.13 R 0.12 M 0.04 L 0.02 C Shift Assignments>> CA :: 55.768(D) CB :: 29.008(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 :: 8.243(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 :: 119.657(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 K 0.17 H 0.16 C 0.13 R 0.11 E 0.11 L 0.05 M 0.03 C Shift Assignments>> CA :: 55.098(D) CB :: 28.728(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 :: 8.593(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 :: 119.469(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.14 C 0.03 R 0.03 D 0.01 HN Overlap>> 1.G6 1.G6 C Shift Assignments>> CA :: 45.014(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.419(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.623(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 R 0.11 E 0.11 M 0.04 L 0.04 C Shift Assignments>> CA :: 55.081(D) CB :: 28.866(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 :: 8.464(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.313(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.19 C 0.16 R 0.12 Q 0.11 H 0.11 E 0.05 C Shift Assignments>> CA :: 55.441(D) CB :: 32.561(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 :: 8.469(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.665(D) Ave N Shift Values>> N :: 120.09(3.57) 1.H14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 R 0.11 E 0.11 M 0.04 L 0.04 C Shift Assignments>> CA :: 55.061(D) CB :: 28.858(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 :: 8.660(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 :: 120.239(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.15 R 0.03 C 0.03 D 0.01 HN Overlap>> 1.G40 1.G40 C Shift Assignments>> CA :: 44.979(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.492(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.619(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.229(D) CB :: 63.956(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.333(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 :: 115.868(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.18 E 0.16 Q 0.15 C 0.14 M 0.09 K 0.07 C Shift Assignments>> CA :: 56.252(D) CB :: 30.377(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 :: 8.503(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.857(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.N18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.65 D 0.16 C 0.11 L 0.04 M 0.01 C Shift Assignments>> CA :: 52.906(D) CB :: 38.549(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 :: 8.442(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 :: 119.666(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.63 D 0.16 C 0.12 L 0.04 M 0.01 E 0.01 C Shift Assignments>> CA :: 53.240(D) CB :: 38.436(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 :: 8.369(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 :: 119.346(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 Q 0.17 H 0.15 L 0.13 R 0.13 K 0.12 E 0.05 M 0.03 P 0.01 C Shift Assignments>> CA :: 52.958(D) CB :: 28.331(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 :: 8.371(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 :: 119.165(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.71 C 0.23 R 0.01 K 0.01 C Shift Assignments>> CA :: 63.238(D) CB :: 31.939(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.Q22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.17 K 0.16 E 0.14 R 0.13 C 0.13 M 0.05 L 0.01 HN Overlap>> 1.C31 1.C31 1.N4 1.N4 C Shift Assignments>> CA :: 55.822(D) CB :: 29.356(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 :: 8.636(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 :: 120.941(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.63 D 0.18 C 0.11 L 0.04 M 0.01 C Shift Assignments>> CA :: 53.061(D) CB :: 38.619(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 :: 8.563(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 :: 120.162(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 61.868(D) CB :: 69.640(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 :: 8.244(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.370(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.561(D) CB :: 63.592(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.409(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 :: 117.785(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.4 L 0.23 N 0.2 C 0.09 K 0.05 C Shift Assignments>> CA :: 54.500(D) CB :: 40.522(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 :: 8.372(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.434(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S47 1.S47 C Shift Assignments>> CA :: 58.699(D) CB :: 63.455(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.217(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.027(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.18 H 0.16 E 0.13 C 0.13 R 0.11 M 0.03 L 0.03 C Shift Assignments>> CA :: 55.954(D) CB :: 28.919(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 :: 8.296(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 :: 121.754(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.2 C 0.17 Q 0.15 R 0.1 H 0.09 E 0.04 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> CA :: 56.287(D) CB :: 32.842(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 :: 8.181(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.051(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 E 0.15 K 0.15 R 0.14 C 0.13 M 0.05 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> CA :: 56.262(D) CB :: 29.541(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 :: 8.377(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.088(D) Ave N Shift Values>> N :: 120.67(3.48) 1.C31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 L 0.27 N 0.11 K 0.11 C 0.1 HN Overlap>> 1.Q22 1.N4 1.Q22 1.N4 C Shift Assignments>> CA :: 55.378(D) CB :: 40.725(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.594(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 :: 120.840(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> CA :: 61.932(D) CB :: 69.832(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 :: 8.389(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 :: 116.270(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.4 L 0.24 N 0.18 C 0.09 K 0.06 HN Overlap>> 1.E30 1.E30 1.K36 1.K36 C Shift Assignments>> CA :: 54.788(D) CB :: 40.515(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 :: 8.325(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.145(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.563(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.353(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.639(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.65 D 0.16 C 0.11 L 0.03 M 0.01 E 0.01 C Shift Assignments>> CA :: 52.946(D) CB :: 38.485(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 :: 8.156(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 :: 119.169(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 C 0.19 M 0.17 R 0.13 H 0.11 Q 0.08 E 0.08 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> CA :: 57.233(D) CB :: 32.318(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 :: 8.304(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.238(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 Q 0.17 E 0.16 H 0.15 C 0.14 R 0.12 M 0.03 L 0.01 C Shift Assignments>> CA :: 57.081(D) CB :: 29.165(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 :: 8.405(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 :: 119.774(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.65 C 0.14 D 0.12 L 0.02 E 0.02 M 0.02 C Shift Assignments>> CA :: 53.175(D) CB :: 38.080(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 :: 8.392(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 :: 117.336(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 K 0.27 D 0.2 R 0.12 C 0.06 N 0.02 C Shift Assignments>> CA :: 55.900(D) CB :: 42.003(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.037(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 :: 117.680(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G15 1.G15 C Shift Assignments>> CA :: 45.358(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.520(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.637(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.1 C 0.01 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> CA :: 52.428(D) CB :: 19.041(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.145(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.031(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.15 C 0.01 C Shift Assignments>> CA :: 52.655(D) CB :: 18.721(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.347(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.215(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 62.063(D) CB :: 69.521(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 :: 8.057(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 :: 112.774(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S50 1.S50 C Shift Assignments>> CA :: 58.294(D) CB :: 63.591(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.241(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 :: 117.934(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.24 K 0.24 R 0.09 C 0.06 N 0.03 HN Overlap>> 1.A41 1.A41 C Shift Assignments>> CA :: 55.387(D) CB :: 41.882(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 :: 8.226(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 :: 124.043(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.24 K 0.22 R 0.11 C 0.05 N 0.03 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> CA :: 55.072(D) CB :: 42.058(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 :: 8.114(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.016(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S27 1.S27 C Shift Assignments>> CA :: 58.439(D) CB :: 63.582(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.184(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.072(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.62 D 0.16 C 0.13 L 0.04 E 0.01 M 0.01 C Shift Assignments>> CA :: 53.406(D) CB :: 38.392(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 :: 8.426(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 :: 120.900(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.T32 1.T32 C Shift Assignments>> CA :: 58.836(D) CB :: 63.392(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.322(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.323(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S44 1.S44 C Shift Assignments>> CA :: 58.983(D) CB :: 63.309(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.322(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 :: 117.964(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 K 0.25 D 0.23 R 0.1 C 0.06 N 0.02 C Shift Assignments>> CA :: 55.545(D) CB :: 41.921(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 :: 8.054(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.158(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 E 0.16 K 0.14 R 0.14 C 0.13 M 0.05 C Shift Assignments>> CA :: 56.642(D) CB :: 29.569(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 :: 8.050(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.107(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 K 0.18 H 0.16 C 0.13 E 0.11 R 0.1 L 0.06 M 0.03 C Shift Assignments>> CA :: 55.199(D) CB :: 28.633(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 :: 8.354(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.684(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 6 #Clerical: 52 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 52 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 58 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 98 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 50 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 50 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P2 CA = 62.881(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.6769e-01 1.P2 CB = 31.710(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.0556e-01 1.E3 CA = 56.349(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.4222e-01 1.E3 CB = 29.935(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.6522e-01 1.E3 H = 8.649(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.8873e-01 1.E3 N = 121.954(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1215e-01 1.N4 CA = 52.961(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.5810e-01 1.N4 CB = 38.608(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.6130e-01 1.N4 H = 8.576(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.0796e-01 1.N4 N = 120.939(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.1812e-01 1.K5 CA = 56.488(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.3367e-01 1.K5 CB = 32.626(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2659e-01 1.K5 H = 8.465(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.4671e-01 1.K5 N = 122.520(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.9660e-01 1.G6 CA = 45.168(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9196e-01 1.G6 H = 8.468(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3187e-01 1.G6 N = 109.564(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7815e-01 1.T7 CA = 61.889(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9831e-01 1.T7 CB = 69.649(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.6037e-01 1.T7 H = 8.132(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.6171e-01 1.T7 N = 112.983(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.0791e-01 1.G8 CA = 45.162(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8842e-01 1.G8 H = 8.494(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0080e-01 1.G8 N = 111.027(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2585e-01 1.Q9 CA = 55.768(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.0783e-01 1.Q9 CB = 29.008(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2034e-01 1.Q9 H = 8.243(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.6890e-01 1.Q9 N = 119.657(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.4840e-01 1.H10 CA = 55.098(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.3817e-01 1.H10 CB = 28.728(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.6512e-01 1.H10 H = 8.593(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.0368e-01 1.H10 N = 119.469(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.5594e-01 1.G11 CA = 45.014(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0201e-01 1.G11 H = 8.419(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9109e-01 1.G11 N = 109.623(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9031e-01 1.H12 CA = 55.081(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.3332e-01 1.H12 CB = 28.866(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.0684e-01 1.H12 H = 8.464(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.4184e-01 1.H12 N = 118.313(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.3066e-01 1.M13 CA = 55.441(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.6418e-01 1.M13 CB = 32.561(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.4812e-01 1.M13 H = 8.469(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.2759e-01 1.M13 N = 121.665(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.5909e-01 1.H14 CA = 55.061(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.2765e-01 1.H14 CB = 28.858(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.0437e-01 1.H14 H = 8.660(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.3681e-01 1.H14 N = 120.239(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.9083e-01 1.G15 CA = 44.979(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8188e-01 1.G15 H = 8.492(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0318e-01 1.G15 N = 110.619(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0629e-01 1.S16 CA = 58.229(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.1250e-01 1.S16 CB = 63.956(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1605e-01 1.S16 H = 8.333(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2842e-01 1.S16 N = 115.868(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0682e-01 1.R17 CA = 56.252(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.2257e-01 1.R17 CB = 30.377(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.5990e-01 1.R17 H = 8.503(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.6636e-01 1.R17 N = 122.857(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.7618e-01 1.N18 CA = 52.906(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.3594e-01 1.N18 CB = 38.549(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.3351e-01 1.N18 H = 8.442(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.7138e-01 1.N18 N = 119.666(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.5509e-01 1.N19 CA = 53.240(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.7322e-01 1.N19 CB = 38.436(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8053e-01 1.N19 H = 8.369(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6329e-01 1.N19 N = 119.346(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1778e-01 1.H20 CA = 52.958(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.2308e-01 1.H20 CB = 28.331(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.5641e-01 1.H20 H = 8.371(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.4724e-01 1.H20 N = 119.165(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.9558e-01 1.P21 CA = 63.238(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.5174e-01 1.P21 CB = 31.939(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.3988e-01 1.Q22 CA = 55.822(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.2669e-01 1.Q22 CB = 29.356(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2733e-01 1.Q22 H = 8.636(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.8076e-01 1.Q22 N = 120.941(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7033e-01 1.N23 CA = 53.061(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.9889e-01 1.N23 CB = 38.619(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.6649e-01 1.N23 H = 8.563(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.2336e-01 1.N23 N = 120.162(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.5983e-01 1.T24 CA = 61.868(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9189e-01 1.T24 CB = 69.640(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.5597e-01 1.T24 H = 8.244(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.9485e-01 1.T24 N = 114.370(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2505e-01 1.S25 CA = 58.561(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3877e-01 1.S25 CB = 63.592(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8823e-01 1.S25 H = 8.409(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2693e-01 1.S25 N = 117.785(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.6897e-01 1.D26 CA = 54.500(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2543e-01 1.D26 CB = 40.522(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.2510e-01 1.D26 H = 8.372(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.1487e-01 1.D26 N = 122.434(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.4395e-01 1.S27 CA = 58.699(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.9191e-01 1.S27 CB = 63.455(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.1568e-01 1.S27 H = 8.217(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1496e-01 1.S27 N = 116.027(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.4270e-01 1.Q28 CA = 55.954(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7346e-01 1.Q28 CB = 28.919(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8163e-01 1.Q28 H = 8.296(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.9751e-01 1.Q28 N = 121.754(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.0461e-01 1.K29 CA = 56.287(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6314e-01 1.K29 CB = 32.842(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.7669e-01 1.K29 H = 8.181(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8803e-01 1.K29 N = 122.051(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.9061e-01 1.E30 CA = 56.262(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.1270e-01 1.E30 CB = 29.541(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.8510e-01 1.E30 H = 8.377(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3651e-01 1.E30 N = 121.088(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0439e-01 1.C31 CA = 55.378(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.8023e-01 1.C31 CB = 40.725(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.7062e-01 1.C31 H = 8.594(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.6076e-01 1.C31 N = 120.840(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.8519e-01 1.T32 CA = 61.932(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.1146e-01 1.T32 CB = 69.832(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.5010e-01 1.T32 H = 8.389(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.1008e-01 1.T32 N = 116.270(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.5798e-01 1.D33 CA = 54.788(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.6150e-01 1.D33 CB = 40.515(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.2174e-01 1.D33 H = 8.325(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7937e-01 1.D33 N = 121.145(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9796e-01 1.G34 CA = 45.563(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7370e-01 1.G34 H = 8.353(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7177e-01 1.G34 N = 108.639(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8992e-01 1.N35 CA = 52.946(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.5203e-01 1.N35 CB = 38.485(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.0345e-01 1.N35 H = 8.156(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.7024e-01 1.N35 N = 119.169(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.5271e-01 1.K36 CA = 57.233(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.9765e-01 1.K36 CB = 32.318(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.9088e-01 1.K36 H = 8.304(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4931e-01 1.K36 N = 121.238(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6023e-01 1.E37 CA = 57.081(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.0896e-01 1.E37 CB = 29.165(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.2323e-01 1.E37 H = 8.405(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9885e-01 1.E37 N = 119.774(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9681e-01 1.N38 CA = 53.175(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.4606e-01 1.N38 CB = 38.080(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.1814e-01 1.N38 H = 8.392(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.3422e-01 1.N38 N = 117.336(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.9245e-01 1.C39 CA = 55.900(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.7108e-01 1.C39 CB = 42.003(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.1345e-01 1.C39 H = 8.037(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.9829e-01 1.C39 N = 117.680(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.9152e-01 1.G40 CA = 45.358(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9524e-01 1.G40 H = 8.520(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7005e-01 1.G40 N = 110.637(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0269e-01 1.A41 CA = 52.428(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.1915e-01 1.A41 CB = 19.041(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.8648e-01 1.A41 H = 8.145(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2696e-01 1.A41 N = 124.031(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2099e-01 1.A42 CA = 52.655(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0650e-01 1.A42 CB = 18.721(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7452e-01 1.A42 H = 8.347(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0646e-01 1.A42 N = 123.215(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9662e-01 1.T43 CA = 62.063(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5166e-01 1.T43 CB = 69.521(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.9797e-01 1.T43 H = 8.057(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.6787e-01 1.T43 N = 112.774(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.7749e-01 1.S44 CA = 58.294(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.3695e-01 1.S44 CB = 63.591(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8770e-01 1.S44 H = 8.241(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.4730e-01 1.S44 N = 117.934(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.3844e-01 1.L45 CA = 55.387(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1289e-01 1.L45 CB = 41.882(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1991e-01 1.L45 H = 8.226(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9509e-01 1.L45 N = 124.043(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7565e-01 1.L46 CA = 55.072(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9696e-01 1.L46 CB = 42.058(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9337e-01 1.L46 H = 8.114(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5836e-01 1.L46 N = 122.016(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6809e-01 1.S47 CA = 58.439(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.9202e-01 1.S47 CB = 63.582(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8290e-01 1.S47 H = 8.184(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7075e-01 1.S47 N = 116.072(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5288e-01 1.N48 CA = 53.406(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4318e-01 1.N48 CB = 38.392(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.6003e-01 1.N48 H = 8.426(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9142e-01 1.N48 N = 120.900(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.2496e-01 1.S49 CA = 58.836(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.5531e-01 1.S49 CB = 63.392(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.8280e-01 1.S49 H = 8.322(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.4325e-01 1.S49 N = 116.323(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9025e-01 1.S50 CA = 58.983(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.9890e-01 1.S50 CB = 63.309(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.4007e-01 1.S50 H = 8.322(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.4325e-01 1.S50 N = 117.964(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.3236e-01 1.L51 CA = 55.545(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7191e-01 1.L51 CB = 41.921(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.3608e-01 1.L51 H = 8.054(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8657e-01 1.L51 N = 123.158(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3927e-01 1.E52 CA = 56.642(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.4563e-01 1.E52 CB = 29.569(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9765e-01 1.E52 H = 8.050(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3509e-01 1.E52 N = 120.107(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7148e-01 1.H53 CA = 55.199(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.6742e-01 1.H53 CB = 28.633(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.3756e-01 1.H53 H = 8.354(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.6686e-01 1.H53 N = 118.684(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.0143e-01