Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.K1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.25 Q 0.16 R 0.15 K 0.13 E 0.1 Y 0.07 N 0.07 S 0.03 C Shift Assignments>> C :: 172.636 CA :: 55.507 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) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 R 0.17 K 0.16 E 0.13 L 0.13 Y 0.1 S 0.05 N 0.02 I 0.01 C Shift Assignments>> C :: 176.036 CA :: 56.535 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 :: 8.870 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 :: 124.431 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 L 0.16 R 0.07 Q 0.07 K 0.05 Y 0.03 E 0.03 C Shift Assignments>> C :: 175.258 CA :: 53.098 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 :: 8.806 HD21 :: 7.769(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 :: 121.638 ND2 :: 113.425(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.25 Y 0.21 E 0.12 K 0.1 R 0.09 I 0.08 Q 0.07 L 0.03 C Shift Assignments>> C :: 174.735(D) CA :: 58.871(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.494 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 :: 117.159 Ave N Shift Values>> N :: 116.28(3.52) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 Q 0.16 R 0.15 K 0.14 E 0.1 Y 0.08 N 0.06 S 0.03 C Shift Assignments>> C :: 178.062(D) CA :: 55.722(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 :: 8.430(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 :: 123.915(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.25 Y 0.2 E 0.12 K 0.1 R 0.1 Q 0.08 I 0.07 L 0.03 C Shift Assignments>> C :: 175.392(D) CA :: 58.719(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.695(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 :: 117.848(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.69 I 0.28 Y 0.01 C Shift Assignments>> C :: 178.063(D) CA :: 63.832(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 :: 8.344(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 :: 122.598(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.18 K 0.16 Y 0.15 R 0.15 Q 0.13 S 0.1 L 0.07 I 0.02 C Shift Assignments>> C :: 179.241(D) CA :: 57.433(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 :: 8.071(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 :: 122.201(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.25 Y 0.21 E 0.12 K 0.1 R 0.09 I 0.09 Q 0.07 L 0.03 HN Overlap>> 1.Q11 1.Q11 1.Q20 1.Q18 1.Q19 1.Q20 1.Q18 1.Q19 C Shift Assignments>> C :: 179.330(D) CA :: 58.954(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 :: 8.205(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 :: 120.024(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.25 Y 0.21 E 0.12 K 0.1 R 0.1 I 0.08 Q 0.07 L 0.03 HN Overlap>> 1.Q26 1.Q26 C Shift Assignments>> C :: 178.666(D) CA :: 58.822(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 :: 8.437(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 :: 121.349(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.25 Y 0.21 E 0.13 K 0.1 R 0.1 Q 0.08 I 0.07 L 0.03 HN Overlap>> 1.E9 1.Q21 1.Q20 1.Q18 1.Q19 1.E9 1.Q21 1.Q20 1.Q18 1.Q19 C Shift Assignments>> C :: 178.846(D) CA :: 58.683(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 :: 8.280(D) HE21 :: 7.589(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 :: 120.060(D) NE2 :: 111.743(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.21 S 0.21 E 0.14 K 0.11 R 0.11 Q 0.09 I 0.05 L 0.04 C Shift Assignments>> C :: 178.297(D) CA :: 58.449(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 :: 8.330(D) HE21 :: 7.592(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 :: 119.608(D) NE2 :: 111.855(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.25 Y 0.21 E 0.12 K 0.1 R 0.09 I 0.08 Q 0.07 L 0.03 C Shift Assignments>> C :: 178.785(D) CA :: 58.878(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 :: 8.190(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 :: 121.007(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.Q14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.21 S 0.19 E 0.14 K 0.12 R 0.11 Q 0.09 I 0.05 L 0.04 C Shift Assignments>> C :: 178.280(D) CA :: 58.320(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 :: 8.264(D) HE21 :: 7.757(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 :: 119.415(D) NE2 :: 112.440(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.21 S 0.17 E 0.15 K 0.13 R 0.12 Q 0.1 L 0.05 I 0.04 HN Overlap>> 1.Q16 1.Q16 1.Q18 1.Q17 1.Q18 1.Q17 C Shift Assignments>> C :: 178.070(D) CA :: 58.122(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 :: 8.228(D) HE21 :: 7.601(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 :: 119.869(D) NE2 :: 112.085(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.2 E 0.16 S 0.15 K 0.13 R 0.13 Q 0.11 L 0.05 I 0.03 HN Overlap>> 1.Q15 1.Q17 1.Q15 1.Q17 C Shift Assignments>> C :: 177.952(D) CA :: 57.947(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 :: 8.247(D) HE21 :: 7.611(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 :: 119.806(D) NE2 :: 112.247(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.18 E 0.17 K 0.14 S 0.13 R 0.13 Q 0.11 L 0.06 I 0.03 HN Overlap>> 1.Q16 1.Q15 1.Q18 1.Q16 1.Q15 1.Q18 C Shift Assignments>> C :: 177.766(D) CA :: 57.800(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 :: 8.250(D) HE21 :: 7.609(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 :: 119.862(D) NE2 :: 112.326(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.18 Y 0.16 K 0.15 R 0.14 Q 0.12 S 0.11 L 0.07 I 0.02 HN Overlap>> 1.Q11 1.E9 1.Q15 1.Q20 1.Q11 1.E9 1.Q15 1.Q20 1.Q19 1.Q17 1.Q19 1.Q17 C Shift Assignments>> C :: 177.655(D) CA :: 57.596(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 :: 8.262(D) HE21 :: 7.613(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 :: 119.964(D) NE2 :: 112.372(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.18 K 0.16 Y 0.15 R 0.15 Q 0.13 S 0.1 L 0.07 I 0.02 HN Overlap>> 1.Q11 1.E9 1.Q20 1.Q18 1.Q11 1.E9 1.Q20 1.Q18 C Shift Assignments>> C :: 177.511(D) CA :: 57.444(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 :: 8.269(D) HE21 :: 7.616(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 :: 119.997(D) NE2 :: 112.433(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.18 K 0.16 R 0.15 Y 0.14 Q 0.14 S 0.09 L 0.08 I 0.02 HN Overlap>> 1.Q11 1.E9 1.Q21 1.Q11 1.E9 1.Q21 1.Q18 1.Q19 1.Q18 1.Q19 C Shift Assignments>> C :: 177.359(D) CA :: 57.289(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 :: 8.287(D) HE21 :: 7.618(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 :: 120.069(D) NE2 :: 112.492(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 E 0.17 R 0.16 Q 0.15 Y 0.12 L 0.09 S 0.08 I 0.01 N 0.01 HN Overlap>> 1.Q11 1.Q11 1.Q20 1.Q22 1.Q20 1.Q22 C Shift Assignments>> C :: 177.194(D) CA :: 57.077(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 :: 8.303(D) HE21 :: 7.620(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 :: 120.167(D) NE2 :: 112.564(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 R 0.17 Q 0.16 E 0.15 Y 0.11 L 0.09 S 0.07 I 0.01 N 0.01 HN Overlap>> 1.Q21 1.Q23 1.Q21 1.Q23 C Shift Assignments>> C :: 177.039(D) CA :: 56.939(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 :: 8.325(D) HE21 :: 7.622(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 :: 120.257(D) NE2 :: 112.605(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 Q 0.18 K 0.17 E 0.14 L 0.11 Y 0.1 S 0.06 N 0.01 I 0.01 HN Overlap>> 1.Q22 1.Q22 C Shift Assignments>> C :: 176.840(D) CA :: 56.696(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 :: 8.345(D) HE21 :: 7.627(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 :: 120.336(D) NE2 :: 112.684(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 R 0.17 K 0.16 L 0.13 E 0.13 Y 0.1 S 0.05 N 0.02 I 0.01 C Shift Assignments>> C :: 176.505(D) CA :: 56.475(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 :: 8.359(D) HE21 :: 7.634(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 :: 120.479(D) NE2 :: 112.841(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 L 0.17 R 0.17 K 0.15 E 0.12 Y 0.09 S 0.04 N 0.03 C Shift Assignments>> C :: 176.160(D) CA :: 56.145(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 :: 8.374(D) HE21 :: 7.642(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 :: 120.701(D) NE2 :: 112.926(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.21 Q 0.17 R 0.16 K 0.14 E 0.11 Y 0.08 N 0.05 S 0.03 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> C :: 175.869(D) CA :: 55.871(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 :: 8.397(D) HE21 :: 7.654(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 :: 121.384(D) NE2 :: 113.079(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 R 0.17 K 0.16 L 0.14 E 0.13 Y 0.09 S 0.05 N 0.02 I 0.01 C Shift Assignments>> C :: 176.014(D) CA :: 56.379(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 :: 8.397(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.476(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.18 Q 0.18 R 0.16 K 0.15 E 0.12 Y 0.09 S 0.04 N 0.04 C Shift Assignments>> C :: 175.193(D) CA :: 56.050(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 :: 8.408(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.737(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.26 Y 0.21 E 0.11 I 0.11 K 0.09 R 0.09 Q 0.07 L 0.03 C Shift Assignments>> C :: 180.459(D) CA :: 59.161 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 :: 7.877(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 :: 126.381(D) Ave N Shift Values>> N :: 120.52(4.2) ########################################################################### Overall Results: #Consistent: 2 #Clerical: 27 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 29 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 29 #Suspicious: 0 C Shift Results: #Consistent: 7 #Duplicate: 51 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 3 #Duplicate: 41 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 3 #Duplicate: 41 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N3 HD21 = 7.769(D), Expected = 7.35, Std = 0.4800, ChiSquare = 3.8271e-01 1.N3 ND2 = 113.425(D), Expected = 112.75, Std = 2.2300, ChiSquare = 7.6213e-01 1.S4 C = 174.735(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4669e-01 1.S4 CA = 58.871(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.4185e-01 1.L5 C = 178.062(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.8822e-01 1.L5 CA = 55.722(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6181e-01 1.L5 H = 8.430(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.5832e-01 1.L5 N = 123.915(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9825e-01 1.S6 C = 175.392(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.5355e-01 1.S6 CA = 58.719(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.9961e-01 1.S6 H = 8.695(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.8181e-01 1.S6 N = 117.848(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5599e-01 1.I7 C = 178.063(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.4907e-01 1.I7 CA = 63.832(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.0705e-01 1.I7 H = 8.344(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2502e-01 1.I7 N = 122.598(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.9033e-01 1.L8 C = 179.241(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.5559e-01 1.L8 CA = 57.433(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.9467e-01 1.L8 H = 8.071(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0675e-01 1.L8 N = 122.201(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3033e-01 1.E9 C = 179.330(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.0711e-01 1.E9 CA = 58.954(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.3432e-01 1.E9 H = 8.205(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.3221e-01 1.E9 N = 120.024(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5273e-01 1.E10 C = 178.666(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.5704e-01 1.E10 CA = 58.822(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7235e-01 1.E10 H = 8.437(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5609e-01 1.E10 N = 121.349(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4530e-01 1.Q11 C = 178.846(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.9343e-01 1.Q11 CA = 58.683(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.2345e-01 1.Q11 H = 8.280(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.1900e-01 1.Q11 HE21 = 7.589(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.3801e-01 1.Q11 N = 120.060(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6234e-01 1.Q11 NE2 = 111.743(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.4114e-01 1.Q12 C = 178.297(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.0822e-01 1.Q12 CA = 58.449(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.7992e-01 1.Q12 H = 8.330(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5210e-01 1.Q12 HE21 = 7.592(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.3408e-01 1.Q12 N = 119.608(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3756e-01 1.Q12 NE2 = 111.855(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.9304e-01 1.R13 C = 178.785(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.4202e-01 1.R13 CA = 58.878(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.6148e-01 1.R13 H = 8.190(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3467e-01 1.R13 N = 121.007(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.5514e-01 1.Q14 C = 178.280(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.1237e-01 1.Q14 CA = 58.320(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.1350e-01 1.Q14 H = 8.264(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.4055e-01 1.Q14 HE21 = 7.757(D), Expected = 7.24, Std = 0.4500, ChiSquare = 2.5060e-01 1.Q14 N = 119.415(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.9503e-01 1.Q14 NE2 = 112.440(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.4035e-01 1.Q15 C = 178.070(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.6676e-01 1.Q15 CA = 58.122(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.6831e-01 1.Q15 H = 8.228(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.8918e-01 1.Q15 HE21 = 7.601(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.2242e-01 1.Q15 N = 119.869(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9535e-01 1.Q15 NE2 = 112.085(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.0052e-01 1.Q16 C = 177.952(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.9976e-01 1.Q16 CA = 57.947(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.1993e-01 1.Q16 H = 8.247(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.6350e-01 1.Q16 HE21 = 7.611(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.0969e-01 1.Q16 N = 119.806(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8138e-01 1.Q16 NE2 = 112.247(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.2651e-01 1.Q17 C = 177.766(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.5527e-01 1.Q17 CA = 57.800(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.6545e-01 1.Q17 H = 8.250(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.5945e-01 1.Q17 HE21 = 7.609(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.1222e-01 1.Q17 N = 119.862(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9379e-01 1.Q17 NE2 = 112.326(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.9092e-01 1.Q18 C = 177.655(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.9036e-01 1.Q18 CA = 57.596(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.3163e-01 1.Q18 H = 8.262(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.4325e-01 1.Q18 HE21 = 7.613(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.0717e-01 1.Q18 N = 119.964(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8360e-01 1.Q18 NE2 = 112.372(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.7039e-01 1.Q19 C = 177.511(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.3796e-01 1.Q19 CA = 57.444(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.8297e-01 1.Q19 H = 8.269(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.3381e-01 1.Q19 HE21 = 7.616(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.0341e-01 1.Q19 N = 119.997(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.7629e-01 1.Q19 NE2 = 112.433(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.4342e-01 1.Q20 C = 177.359(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.9061e-01 1.Q20 CA = 57.289(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3688e-01 1.Q20 H = 8.287(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.0959e-01 1.Q20 HE21 = 7.618(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.0091e-01 1.Q20 N = 120.069(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6034e-01 1.Q20 NE2 = 112.492(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.1763e-01 1.Q21 C = 177.194(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.5031e-01 1.Q21 CA = 57.077(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.1272e-01 1.Q21 H = 8.303(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8812e-01 1.Q21 HE21 = 7.620(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.9842e-01 1.Q21 N = 120.167(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3867e-01 1.Q21 NE2 = 112.564(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.8659e-01 1.Q22 C = 177.039(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.0852e-01 1.Q22 CA = 56.939(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6310e-01 1.Q22 H = 8.325(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5875e-01 1.Q22 HE21 = 7.622(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.9594e-01 1.Q22 N = 120.257(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.1880e-01 1.Q22 NE2 = 112.605(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.6914e-01 1.Q23 C = 176.840(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.8578e-01 1.Q23 CA = 56.696(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.5305e-01 1.Q23 H = 8.345(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.3221e-01 1.Q23 HE21 = 7.627(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.8979e-01 1.Q23 N = 120.336(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.0140e-01 1.Q23 NE2 = 112.684(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.3603e-01 1.Q24 C = 176.505(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.2034e-01 1.Q24 CA = 56.475(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.6459e-01 1.Q24 H = 8.359(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.1375e-01 1.Q24 HE21 = 7.634(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.8127e-01 1.Q24 N = 120.479(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.7004e-01 1.Q24 NE2 = 112.841(D), Expected = 111.87, Std = 1.7200, ChiSquare = 5.7239e-01 1.Q25 C = 176.160(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.3868e-01 1.Q25 CA = 56.145(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.4258e-01 1.Q25 H = 8.374(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.9408e-01 1.Q25 HE21 = 7.642(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.7168e-01 1.Q25 N = 120.701(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2176e-01 1.Q25 NE2 = 112.926(D), Expected = 111.87, Std = 1.7200, ChiSquare = 5.3925e-01 1.Q26 C = 175.869(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.2108e-01 1.Q26 CA = 55.871(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.4394e-01 1.Q26 H = 8.397(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.6418e-01 1.Q26 HE21 = 7.654(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.5757e-01 1.Q26 N = 121.384(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.7814e-01 1.Q26 NE2 = 113.079(D), Expected = 111.87, Std = 1.7200, ChiSquare = 4.8211e-01 1.K27 C = 176.014(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.5428e-01 1.K27 CA = 56.379(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9521e-01 1.K27 H = 8.397(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.3009e-01 1.K27 N = 123.476(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1990e-01 1.K28 C = 175.193(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.6937e-01 1.K28 CA = 56.050(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.8247e-01 1.K28 H = 8.408(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1636e-01 1.K28 N = 123.737(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.7601e-01 1.Y29 C = 180.459(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.1015e-02 1.Y29 H = 7.877(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.4395e-01 1.Y29 N = 126.381(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.6287e-01