Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.P1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 R 0.11 C Shift Assignments>> CB :: 29.6925 CG :: 27.4449 CD :: 50.3037 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) H Shift Assignments>> HB2 :: 1.8975 HB3 :: 2.5098 HG2 :: 1.5476 HG3 :: 1.6617 HD2 :: 2.9211 HD3 :: 3.5337 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 G 0.01 C Shift Assignments>> CA :: 53.2697 CB :: 41.9481 CG :: 27.3084 CD1 :: 23.5896 CD2 :: 25.991 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 :: 6.4160 HA :: 4.4751 HB2 :: 1.6618 HB3 :: 1.3327 HG :: 1.6871 HD11 :: 0.6554 HD12 :: 0.6554 HD13 :: 0.6554 HD21 :: 0.8795 HD22 :: 0.8795 HD23 :: 0.8795 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 :: 109.0839 Ave N Shift Values>> N :: 121.86(3.9) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.2281 CB :: 32.583 CG :: 26.3535 CD :: 49.3584 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) H Shift Assignments>> HA :: 4.3208 HB2 :: 2.3820 HB3 :: 2.3830 HG2 :: 1.8816 HG3 :: 1.9567 HD2 :: 3.2864 HD3 :: 3.2865 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.1653 CB :: 31.9059 CG :: 27.6501 CD :: 50.4524 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) H Shift Assignments>> HA :: 4.2522 HB2 :: 2.2211 HB3 :: 1.7527 HG2 :: 2.0307 HG3 :: 1.9292 HD2 :: 3.5381 HD3 :: 3.7775 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.15 R 0.03 C Shift Assignments>> CA :: 44.9976 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6150 HA2 :: 3.9826 HA3 :: 3.3931 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.9005 Ave N Shift Values>> N :: 109.67(3.87) 1.W6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 57.2849 CB :: 32.157 CD1 :: 127.6758 CE3 :: 120.1031 CZ2 :: 115.2441 CZ3 :: 123.7187 CH2 :: 125.0388 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.3312 HA :: 5.0858 HB2 :: 3.1114 HB3 :: 2.8579 HD1 :: 6.8900 HE1 :: 10.5900 HE3 :: 7.2600 HZ2 :: 7.4200 HZ3 :: 6.8100 HH2 :: 6.9100 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.2842 NE1 :: 129.2426 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.99 C Shift Assignments>> CA :: 54.3491 CB :: 34.1964 CG :: 36.1509 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 :: 9.5174 HA :: 4.7686 HB2 :: 2.0115 HB3 :: 2.0747 HG2 :: 2.4450 HG3 :: 2.0703 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 :: 119.8078 Ave N Shift Values>> N :: 120.67(3.48) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.37 CB :: 39.3198 CG1 :: 29.187 CG2 :: 17.3789 CD1 :: 13.6736 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 :: 8.4116 HA :: 4.1793 HB :: 1.4870 HG12 :: 1.4900 HG13 :: 1.4901 HG21 :: 0.6289 HG22 :: 0.6289 HG23 :: 0.6289 HD11 :: 0.8235 HD12 :: 0.8235 HD13 :: 0.8235 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.9799 Ave N Shift Values>> N :: 121.46(4.28) 1.R9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.51 G 0.24 K 0.23 C Shift Assignments>> CA :: 53.8672 CB :: 33.6332 CG :: 27.943 CD :: 43.4571 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 :: 8.4497 HA :: 4.2064 HB2 :: -0.2425(S) HB3 :: 1.0052 HG2 :: 1.0644 HG3 :: 1.1963 HD2 :: 2.5140 HD3 :: 2.8490 HE :: 6.9244 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 :: 127.4259 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.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 59.0356 CB :: 39.9889 CG1 :: 27.6501 CG2 :: 17.2951 CD1 :: 12.6204 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.8142 HA :: 4.4537 HB :: 1.4473 HG12 :: 1.1910 HG13 :: 1.1911 HG21 :: 0.5748 HG22 :: 0.5748 HG23 :: 0.5748 HD11 :: 0.6161 HD12 :: 0.6161 HD13 :: 0.6161 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.5848 Ave N Shift Values>> N :: 121.46(4.28) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.93 K 0.05 C Shift Assignments>> CA :: 54.6899 CB :: 31.229 CG :: 35.9646 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 :: 8.0430 HA :: 4.4051 HB2 :: 1.7495 HB3 :: 1.6861 HG2 :: 2.0703 HG3 :: 2.0704 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 :: 120.6869 Ave N Shift Values>> N :: 120.67(3.48) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.5288 CB :: 62.9112 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8056 HA :: 4.0512 HB2 :: 3.8100 HB3 :: 3.8101 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 :: 124.2029 Ave N Shift Values>> N :: 116.28(3.52) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> CA :: 46.6041 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8565 HA2 :: 3.5620 HA3 :: 4.1733 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.0102 Ave N Shift Values>> N :: 109.67(3.87) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.7566 CB :: 64.4866 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8904 HA :: 4.3436 HB2 :: 3.8100 HB3 :: 3.8101 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 :: 115.2956 Ave N Shift Values>> N :: 116.28(3.52) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 45.9226 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1447 HA2 :: 3.5942 HA3 :: 4.0228 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.428 Ave N Shift Values>> N :: 109.67(3.87) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.18 K 0.09 C Shift Assignments>> CA :: 57.2849 CB :: 32.1558 CG :: 27.3084 CD :: 43.7182 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 :: 8.0303 HA :: 4.1578 HB2 :: 1.9746 HB3 :: 1.9747 HG2 :: 1.7400 HG3 :: 1.7401 HD2 :: 2.8593 HD3 :: 2.9328 HE :: 6.8481 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 :: 120.1008 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.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.8048 CB :: 39.2676 CG1 :: 28.177 CG2 :: 17.7383 CD1 :: 13.3077 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 :: 8.1828 HA :: 4.5223 HB :: 1.5781 HG12 :: 1.4800 HG13 :: 1.0000 HG21 :: 0.5228 HG22 :: 0.5228 HG23 :: 0.5228 HD11 :: 0.7203 HD12 :: 0.7203 HD13 :: 0.7203 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 :: 123.0895 Ave N Shift Values>> N :: 121.46(4.28) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 55.216 CB :: 38.4751 CD1 :: 134.1259 CE1 :: 116.9221 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 :: 8.5895 HA :: 4.3522 HB2 :: 2.0938 HB3 :: 2.0939 HD1 :: 6.5939 HD2 :: 6.5939 HE1 :: 6.1745 HE2 :: 6.1745 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 :: 122.0347 Ave N Shift Values>> N :: 120.52(4.2) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 56.4967 CB :: 40.6484 CD1 :: 133.4593 CE1 :: 117.0713 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 :: 8.5260 HA :: 5.1702 HB2 :: 2.7256 HB3 :: 2.7257 HD1 :: 6.6321 HD2 :: 6.6321 HE1 :: 6.4795 HE2 :: 6.4795 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 :: 115.4714 Ave N Shift Values>> N :: 120.52(4.2) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 G 0.28 C Shift Assignments>> CA :: 55.7707 CB :: 43.2878 CD1 :: 133.2033 CE1 :: 117.178 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 :: 9.1615 HA :: 5.5065 HB2 :: 2.3950 HB3 :: 2.6286 HD1 :: 6.7719 HD2 :: 6.7719 HE1 :: 6.3524 HE2 :: 6.3524 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 :: 122.9137 Ave N Shift Values>> N :: 120.52(4.2) 1.N21 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.93 Y 0.03 L 0.01 C Shift Assignments>> CA :: 50.8377 CB :: 37.9845 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 :: 7.9794 HA :: 4.3063 HB2 :: -0.6766(A) HB3 :: 1.8043 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 :: 128.4807 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.8247 CB :: 63.1468 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2336 HA :: 3.7078 HB2 :: 3.8892 HB3 :: 3.7387 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 :: 118.8116 Ave N Shift Values>> N :: 116.28(3.52) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.5964 CB :: 37.2682 CG1 :: 27.943 CG2 :: 17.0205 CD1 :: 12.261 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 :: 8.1065 HA :: 3.7443 HB :: 1.9043 HG12 :: 1.3658 HG13 :: 0.9367 HG21 :: 0.6780 HG22 :: 0.6780 HG23 :: 0.6780 HD11 :: 0.6584 HD12 :: 0.6584 HD13 :: 0.6584 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 :: 122.9723 Ave N Shift Values>> N :: 121.46(4.28) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.536 CB :: 69.1585 CG2 :: 21.1438 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.4583 HA :: 3.9550 HB :: 4.1440 HG21 :: 0.8706 HG22 :: 0.8706 HG23 :: 0.8706 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 :: 107.6775 Ave N Shift Values>> N :: 115.42(4.75) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.21 L 0.05 G 0.03 C Shift Assignments>> CA :: 56.9541 CB :: 28.304 CG :: 24.957 CD :: 29.1907 CE :: 42.5105 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 :: 7.6998 HA :: 3.5982 HB2 :: 1.8140 HB3 :: 2.0539 HG2 :: 1.1143 HG3 :: 1.1144 HD2 :: 1.5000 HD3 :: 1.5010 HE2 :: 2.8637 HE3 :: 2.8637 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.9912 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.5872 CB :: 70.8427 CG2 :: 21.7564 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 :: 6.8227 HA :: 4.4123 HB :: 3.6384 HG21 :: 1.1399 HG22 :: 1.1399 HG23 :: 1.1399 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 :: 112.5414 Ave N Shift Values>> N :: 115.42(4.75) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.7495 CB :: 71.3806 CG2 :: 22.4223 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 :: 8.3607 HA :: 5.5528 HB :: 3.9170 HG21 :: 1.0613 HG22 :: 1.0613 HG23 :: 1.0613 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 :: 116.2918 Ave N Shift Values>> N :: 115.42(4.75) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CB :: 70.0067 CG2 :: 20.5585 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.1361 HB :: 4.2220 HG21 :: 1.1153 HG22 :: 1.1153 HG23 :: 1.1153 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 :: 117.8154 Ave N Shift Values>> N :: 115.42(4.75) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 58.1917 CB :: 30.0954 CD1 :: 127.196 CE3 :: 121.2606 CZ2 :: 114.1942 CZ3 :: 122.184 CH2 :: 124.278 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.5641 HA :: 4.8149 HB2 :: 3.5807 HB3 :: 3.0452 HD1 :: 7.2300 HE1 :: 9.9000 HE3 :: 7.8300 HZ2 :: 7.0800 HZ3 :: 6.7400 HH2 :: 6.8100 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.2615 NE1 :: 127.9533 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.86 I 0.1 K 0.03 C Shift Assignments>> CA :: 56.9541 CB :: 30.6994 CG :: 37.341 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 :: 9.5047 HA :: 4.3308 HB2 :: 1.9546 HB3 :: 2.4040 HG2 :: 2.3069 HG3 :: 2.4317 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 :: 131.0006 Ave N Shift Values>> N :: 120.67(3.48) 1.R31 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.77 G 0.12 K 0.07 L 0.02 C Shift Assignments>> CA :: 54.2676 CB :: 30.0954 CG :: 26.7244 CD :: 43.3498 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 :: 8.2845 HA :: 2.4625(S) HB2 :: 1.3002 HB3 :: 1.3003 HG2 :: 0.8166 HG3 :: 1.0770 HD2 :: 2.8916 HD3 :: 2.8917 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 :: 125.8437 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.P32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.1079 CB :: 31.5487 CG :: 25.5451 CD :: 50.2377 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) H Shift Assignments>> HA :: 3.8218 HB2 :: 0.8633(S) HB3 :: 0.6973(S) HG2 :: -0.2010(S) HG3 :: 0.2683(S) HD2 :: 2.3136(S) HD3 :: 2.0190(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 K 0.12 G 0.09 C Shift Assignments>> CA :: 55.3851 CB :: 31.7843 CG :: 26.9737 CD :: 43.2165 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 :: 8.1065 HA :: 4.1150 HB2 :: 1.5085 HB3 :: 1.6723 HG2 :: 1.3858 HG3 :: 1.3859 HD2 :: 2.9989 HD3 :: 2.9990 HE :: 7.0134 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 :: 119.6906 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.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 G 0.17 R 0.09 C Shift Assignments>> CA :: 56.8029 CB :: 43.7182 CG :: 27.1055 CD1 :: 24.1653 CD2 :: 25.0694 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 :: 7.6489 HA :: 4.0025 HB2 :: 1.4047 HB3 :: 1.4752 HG :: 1.4239 HD11 :: 0.7507 HD12 :: 0.7507 HD13 :: 0.7507 HD21 :: 0.7743 HD22 :: 0.7743 HD23 :: 0.7743 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 :: 126.9571 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 30 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 34 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 33 #Suspicious: 1 C Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 239 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 32 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R9 HB2 = -0.2425(S), Expected = 1.79, Std = 0.2700, ChiSquare = 5.1611e-14 1.N21 HB2 = -0.6766(A), Expected = 2.81, Std = 0.3100, ChiSquare = 2.3934e-29 1.R31 HA = 2.4625(S), Expected = 4.30, Std = 0.4600, ChiSquare = 6.4813e-05 1.R31 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.P32 HB2 = 0.8633(S), Expected = 2.08, Std = 0.3500, ChiSquare = 5.0841e-04 1.P32 HB3 = 0.6973(S), Expected = 2.00, Std = 0.3600, ChiSquare = 2.9619e-04 1.P32 HG2 = -0.2010(S), Expected = 1.93, Std = 0.3100, ChiSquare = 6.2342e-12 1.P32 HG3 = 0.2683(S), Expected = 1.90, Std = 0.3300, ChiSquare = 7.6322e-07 1.P32 HD2 = 2.3136(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.3438e-04 1.P32 HD3 = 2.0190(S), Expected = 3.61, Std = 0.3900, ChiSquare = 4.5135e-05