Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> CA :: 45.438 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.955 HA3 :: 3.955 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.2 M 0.03 G 0.01 C Shift Assignments>> CA :: 56.641 CB :: 32.793 CG :: 24.890 CD :: 29.082 CE :: 42.250 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.273 HA :: 4.287 HB2 :: 1.849 HB3 :: 1.736 HG2 :: 1.433 HG3 :: 1.364 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.842 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.619 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.579 HA2 :: 3.972 HA3 :: 3.972 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.674 Ave N Shift Values>> N :: 109.91(4.29) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 C Shift Assignments>> CA :: 44.972 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.173 HA2 :: 3.928 HA3 :: 3.928 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.646 Ave N Shift Values>> N :: 109.91(4.29) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> CA :: 62.581 CB :: 32.746 CG1 :: 21.050 CG2 :: 20.747 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.043 HA :: 4.093 HB :: 1.971 HG11 :: 0.818 HG12 :: 0.818 HG13 :: 0.818 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.074 Ave N Shift Values>> N :: 121.02(4.96) 1.W12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.43 H 0.02 C Shift Assignments>> CA :: 57.035 CB :: 29.449 CD1 :: 125.957 CE3 :: 122.982 CZ2 :: 113.212 CZ3 :: 121.842 CH2 :: 124.757 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.645 HA :: 4.377 HB2 :: 3.154 HB3 :: 2.764 HD1 :: 7.056 HE1 :: 10.005 HE3 :: 7.627 HZ2 :: 6.994 HZ3 :: 6.983 HH2 :: 7.377 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 127.244 NE1 :: 128.040 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.33 K 0.18 G 0.07 C Shift Assignments>> CA :: 54.782 CB :: 31.861 CG :: 27.679 CD :: 43.283 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.460 HA :: 4.628 HB2 :: 2.196 HB3 :: 1.709 HG2 :: 1.723 HG3 :: 1.723 HD2 :: 3.179 HD3 :: 3.136 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.881 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Y 0.28 E 0.18 I 0.11 N 0.02 M 0.02 D 0.02 K 0.01 L 0.01 C Shift Assignments>> CA :: 57.635 CB :: 37.707 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.530 HB2 :: 2.998 HB3 :: 2.998 HD21 :: 7.853 HD22 :: 7.091 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 113.639 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 177.383 CA :: 64.799 CB :: 68.340 CG2 :: 22.692 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> HA :: 4.050 HB :: 4.185 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 1.E16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 I 0.23 E 0.21 M 0.03 C Shift Assignments>> C :: 178.245 CA :: 59.351 CB :: 31.345 CG :: 38.219 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.049 HA :: 4.143 HB2 :: 2.840(S) HB3 :: 2.368 HG2 :: 2.277 HG3 :: 2.132 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.965 Ave N Shift Values>> N :: 120.68(3.68) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.21 K 0.16 L 0.13 D 0.09 I 0.08 R 0.02 N 0.01 C Shift Assignments>> C :: 179.180 CA :: 57.800 CB :: 40.668 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.046 HA :: 4.713 HB2 :: 2.985 HB3 :: 2.601 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.713 Ave N Shift Values>> N :: 120.73(4.2) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.2 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 180.284 CA :: 59.551 CB :: 29.425 CG :: 36.200 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.065 HA :: 4.100 HB2 :: 2.175 HB3 :: 2.175 HG2 :: 2.469 HG3 :: 2.429 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.870 Ave N Shift Values>> N :: 120.68(3.68) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 178.621 CA :: 65.267 CB :: 38.580 CG1 :: 29.653 CG2 :: 17.497 CD1 :: 13.575 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.879 HA :: 3.824 HB :: 2.125 HG12 :: 1.955 HG13 :: 1.182 HG21 :: 0.967 HG22 :: 0.967 HG23 :: 0.967 HD11 :: 0.960 HD12 :: 0.960 HD13 :: 0.960 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.366 Ave N Shift Values>> N :: 121.6(4.72) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.31 L 0.16 K 0.06 G 0.01 C Shift Assignments>> C :: 177.796 CA :: 59.072 CB :: 42.147 CG :: 27.899 CD1 :: 25.906 CD2 :: 27.375 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.727 HA :: 4.122 HB2 :: 2.338 HB3 :: 1.916 HG :: 1.765 HD11 :: 1.251 HD12 :: 1.251 HD13 :: 1.251 HD21 :: 1.043 HD22 :: 1.043 HD23 :: 1.043 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.782 Ave N Shift Values>> N :: 121.98(4.07) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.35 R 0.22 G 0.01 C Shift Assignments>> C :: 178.718 CA :: 60.686 CB :: 33.020 CG :: 25.882 CD :: 29.859 CE :: 41.901 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.832 HA :: 4.037 HB2 :: 2.057 HB3 :: 2.057 HG2 :: 1.833 HG3 :: 1.639 HD2 :: 1.782 HD3 :: 1.782 HE2 :: 2.926 HE3 :: 2.926 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.886 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 180.418 CA :: 54.701 CB :: 18.036 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.785 HA :: 4.105 HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.657 Ave N Shift Values>> N :: 123.23(3.7) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.43 C 0.05 L 0.03 V 0.01 I 0.01 C Shift Assignments>> C :: 179.422 CA :: 54.802 CB :: 19.728 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.539 HA :: 4.193 HB1 :: 1.638 HB2 :: 1.638 HB3 :: 1.638 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.204 Ave N Shift Values>> N :: 123.23(3.7) 1.V24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 179.908 CA :: 65.609 CB :: 31.296 CG1 :: 19.984 CG2 :: 23.913 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.554 HA :: 3.322 HB :: 1.327 HG11 :: -0.593(S) HG12 :: -0.593(S) HG13 :: -0.593(S) HG21 :: 0.440 HG22 :: 0.440 HG23 :: 0.440 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.020 Ave N Shift Values>> N :: 121.02(4.96) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.48 A 0.01 C Shift Assignments>> C :: 177.250 CA :: 58.216 CB :: 31.804 CG :: 32.039 CE :: 17.051 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.572 HA :: 4.008 HB2 :: 2.134 HB3 :: 2.069 HG2 :: 2.731 HG3 :: 2.624 HE1 :: 2.103 HE2 :: 2.103 HE3 :: 2.103 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.840 Ave N Shift Values>> N :: 120.1(3.88) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.12 M 0.02 C Shift Assignments>> C :: 177.881 CA :: 58.662 CB :: 33.777 CG :: 24.405 CD :: 29.328 CE :: 42.056 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.364 HA :: 3.923 HB2 :: 1.438 HB3 :: 1.214 HG2 :: 0.866 HG3 :: 0.285(S) HD2 :: 1.330 HD3 :: 1.224 HE2 :: 2.761 HE3 :: 2.695 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.197 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 176.691 CA :: 58.248 CB :: 38.802 CD1 :: 132.538 CD2 :: 132.538 CE1 :: 117.643 CE2 :: 117.643 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.794 HA :: 4.478 HB2 :: 2.933 HB3 :: 2.500 HD1 :: 7.078 HD2 :: 7.078 HE1 :: 6.716 HE2 :: 6.716 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.016 Ave N Shift Values>> N :: 120.79(4.69) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.23 R 0.21 C 0.1 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.220 CA :: 44.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.015 HA2 :: 4.149 HA3 :: 3.691 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.606 Ave N Shift Values>> N :: 109.91(4.29) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.32 R 0.3 M 0.02 G 0.01 C Shift Assignments>> C :: 175.040 CA :: 56.597 CB :: 32.292 CG :: 26.133 CD :: 29.614 CE :: 42.320 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.967 HA :: 3.533 HB2 :: 2.369 HB3 :: 1.520 HG2 :: 1.063 HG3 :: 0.961 HD2 :: 1.773 HD3 :: 1.683 HE2 :: 3.004 HE3 :: 2.863 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.747 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.28 C 0.14 L 0.06 Y 0.05 C Shift Assignments>> C :: 175.295 CA :: 52.329 CB :: 39.667 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.207 HA :: 4.994 HB2 :: 2.906 HB3 :: 2.556 HD21 :: 7.625 HD22 :: 6.938 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.355 ND2 :: 113.043 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.26 C 0.24 M 0.08 R 0.07 E 0.04 C Shift Assignments>> C :: 176.254 CA :: 54.208 CB :: 29.052 CG :: 33.306 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.249 HA :: 4.670 HB2 :: 2.121 HB3 :: 1.131 HG2 :: 2.297 HG3 :: 2.085 HE21 :: 7.539 HE22 :: 6.940 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.007 NE2 :: 112.998 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.44 H 0.06 C Shift Assignments>> C :: 178.136 CA :: 60.019 CB :: 29.101 CD1 :: 128.745 CE3 :: 119.612 CZ2 :: 114.884 CZ3 :: 121.882 CH2 :: 124.908 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.225 HA :: 4.175 HB2 :: 3.609 HB3 :: 3.148 HD1 :: 7.634 HE1 :: 10.143 HE3 :: 7.283 HZ2 :: 7.394 HZ3 :: 6.668 HH2 :: 6.591 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.236 NE1 :: 131.080 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.606 CA :: 62.312 CB :: 62.091 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.648 HA :: 4.275 HB2 :: 3.941 HB3 :: 3.918 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.857 Ave N Shift Values>> N :: 116.3(3.95) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.34 K 0.17 G 0.05 L 0.03 C Shift Assignments>> C :: 179.362 CA :: 58.590 CB :: 29.838 CG :: 26.177 CD :: 43.128 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.656 HA :: 4.002 HB2 :: 1.689 HB3 :: 1.526 HG2 :: 1.255 HG3 :: 1.023 HD2 :: 2.582 HD3 :: 2.475 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.107 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.238 CA :: 65.967 CB :: 37.558 CG1 :: 29.597 CG2 :: 17.041 CD1 :: 13.699 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.847 HA :: 3.442 HB :: 1.900 HG12 :: 1.574 HG13 :: 0.814 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 HD11 :: 0.449 HD12 :: 0.449 HD13 :: 0.449 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.220 Ave N Shift Values>> N :: 121.6(4.72) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.3 I 0.05 C 0.02 C Shift Assignments>> C :: 180.102 CA :: 55.376 CB :: 17.750 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.440 HA :: 4.118 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.151 Ave N Shift Values>> N :: 123.23(3.7) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.271 CA :: 61.072 CB :: 63.275 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.386 HA :: 4.324 HB2 :: 4.005 HB3 :: 4.005 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.176 Ave N Shift Values>> N :: 116.3(3.95) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.28 R 0.09 A 0.07 G 0.01 C Shift Assignments>> C :: 176.922 CA :: 55.382 CB :: 42.139 CG :: 26.612 CD1 :: 26.231 CD2 :: 22.159 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.865 HA :: 4.317 HB2 :: 2.063 HB3 :: 1.600 HG :: 1.852 HD11 :: 1.012 HD12 :: 1.012 HD13 :: 1.012 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.825 Ave N Shift Values>> N :: 121.98(4.07) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 C 0.26 L 0.2 R 0.18 C Shift Assignments>> C :: 175.744 CA :: 53.450 CB :: 44.218 CG :: 27.948 CD1 :: 27.624 CD2 :: 25.655 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.519 HA :: 4.616 HB2 :: 1.725 HB3 :: 1.508 HG :: 1.687 HD11 :: 1.200 HD12 :: 1.200 HD13 :: 1.200 HD21 :: 1.152 HD22 :: 1.152 HD23 :: 1.152 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.521 Ave N Shift Values>> N :: 121.98(4.07) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.32 C 0.31 C Shift Assignments>> C :: 175.805 CA :: 57.751 CB :: 30.809 CD2 :: 119.911 CE1 :: 138.527 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.613 HA :: 4.541 HB2 :: 3.077 HB3 :: 3.008 HD2 :: 6.971 HE1 :: 7.755 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.459 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.32 K 0.09 L 0.09 G 0.07 C Shift Assignments>> C :: 175.259 CA :: 56.495 CB :: 29.098 CG :: 27.153 CD :: 43.378 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.846 HA :: 3.946 HB2 :: 1.851 HB3 :: 1.521 HG2 :: 1.223 HG3 :: 1.036 HD2 :: 3.030 HD3 :: 3.030 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.298 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K42 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.63 K 0.27 A 0.04 R 0.02 M 0.01 C Shift Assignments>> C :: 175.501 CA :: 52.712 CB :: 36.288 CG :: 23.928 CD :: 28.833 CE :: 40.985 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.594 HA :: 4.943 HB2 :: 1.636 HB3 :: 1.489 HG2 :: 0.891 HG3 :: 0.365(S) HD2 :: 1.324 HD3 :: 0.584(S) HE2 :: 1.185(A) HE3 :: 0.776(A) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.889 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE3 > HB2 : 0.9970) (HE2 > HB3 : 0.9957) (HE3 > HB3 : 0.9974) (HE3 > HG2 : 0.9993) (HE2 > HD2 : 0.9981) (HE3 > HD2 : 0.9989) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 176.194 CA :: 56.153 CB :: 66.573 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.953 HA :: 4.725 HB2 :: 4.437 HB3 :: 3.940 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.286 Ave N Shift Values>> N :: 116.3(3.95) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.14 I 0.12 C 0.04 V 0.02 C Shift Assignments>> C :: 179.495 CA :: 56.668 CB :: 18.122 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.281 HA :: 4.054 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.351 Ave N Shift Values>> N :: 123.23(3.7) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 179.738 CA :: 59.831 CB :: 32.755 CG :: 25.264 CD :: 29.555 CE :: 42.129 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.325 HA :: 3.870 HB2 :: 1.855 HB3 :: 1.742 HG2 :: 1.523 HG3 :: 1.402 HD2 :: 1.679 HD3 :: 1.679 HE2 :: 2.992 HE3 :: 2.992 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.28 K 0.14 Q 0.12 I 0.08 M 0.04 C Shift Assignments>> C :: 179.872 CA :: 58.976 CB :: 29.555 CG :: 35.238 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.915 HA :: 4.242 HB2 :: 2.655 HB3 :: 2.252 HG2 :: 2.549 HG3 :: 2.516 HE21 :: 7.551 HE22 :: 6.891 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.899 NE2 :: 111.300 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 I 0.39 C 0.04 V 0.01 W 0.01 C Shift Assignments>> C :: 174.312 CA :: 64.554 CB :: 27.378 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.554 HA :: 4.347 HB2 :: 3.576 HB3 :: 2.863 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.570 Ave N Shift Values>> N :: 119.95(4.79) 1.K48 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 K 0.33 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 177.444 CA :: 59.092 CB :: 32.782 CG :: 25.273 CD :: 30.274 CE :: 42.258 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.686 HA :: 1.890(S) HB2 :: 1.313 HB3 :: 0.362(S) HG2 :: 1.044 HG3 :: 0.667 HD2 :: 1.408 HD3 :: 1.408 HE2 :: 3.003 HE3 :: 2.813 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.560 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 C 0.02 I 0.02 C Shift Assignments>> C :: 179.131 CA :: 54.849 CB :: 18.242 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.526 HA :: 4.112 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.191 Ave N Shift Values>> N :: 123.23(3.7) 1.R50 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.49 K 0.24 R 0.16 G 0.05 L 0.03 C Shift Assignments>> C :: 178.767 CA :: 57.240 CB :: 30.434 CG :: 23.664 CD :: 42.988 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.883 HA :: 3.778 HB2 :: 1.405 HB3 :: 1.024 HG2 :: 0.700 HG3 :: -0.530(A) HD2 :: 2.590 HD3 :: 0.899(A) HE :: 8.407 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.006 NE :: 85.469 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) 1.W51 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.64 C 0.34 H 0.01 C Shift Assignments>> CA :: 61.091 CB :: 29.780 CD1 :: 127.092 CE3 :: 120.413 CZ2 :: 114.496 CZ3 :: 121.461 CH2 :: 124.757 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.930 HA :: 4.145 HB2 :: 3.159 HB3 :: 3.159 HD1 :: 5.257(A) HE1 :: 10.033 HE3 :: 7.204 HZ2 :: 7.390 HZ3 :: 6.890 HH2 :: 7.175 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.423 NE1 :: 128.994 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 177.905 CA :: 63.129 CB :: 38.159 CD1 :: 133.952 CD2 :: 133.952 CE1 :: 117.952 CE2 :: 117.952 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.156 HA :: 3.924 HB2 :: 3.101 HB3 :: 2.806 HD1 :: 7.466 HD2 :: 7.466 HE1 :: 7.129 HE2 :: 7.129 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.060 Ave N Shift Values>> N :: 120.79(4.69) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.08 M 0.07 K 0.06 Q 0.02 C Shift Assignments>> C :: 176.946 CA :: 56.994 CB :: 30.066 CG :: 36.700 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.696 HA :: 4.223 HB2 :: 2.080 HB3 :: 1.894 HG2 :: 2.392 HG3 :: 2.129 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.324 Ave N Shift Values>> N :: 120.68(3.68) 1.W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.47 C Shift Assignments>> C :: 175.113 CA :: 58.789 CB :: 32.868 CD1 :: 126.555 CE3 :: 120.945 CZ2 :: 114.493 CH2 :: 124.466 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.262 HA :: 4.713 HB2 :: 2.988 HB3 :: 2.988 HD1 :: 6.733 HE1 :: 9.937 HE3 :: 7.608 HZ2 :: 7.421 HH2 :: 7.195 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.789 NE1 :: 128.259 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.27 G 0.21 R 0.11 A 0.02 C Shift Assignments>> C :: 176.303 CA :: 55.881 CB :: 44.117 CG :: 26.836 CD1 :: 26.822 CD2 :: 22.692 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.620 HA :: 3.906 HB2 :: 1.443 HB3 :: 1.191 HG :: 1.532 HD11 :: 0.996 HD12 :: 0.996 HD13 :: 0.996 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.707 Ave N Shift Values>> N :: 121.98(4.07) 1.D56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.36 N 0.21 L 0.16 C 0.12 K 0.06 Y 0.04 R 0.01 C Shift Assignments>> C :: 175.805 CA :: 52.316 CB :: 41.068 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.587 HA :: 3.261(S) HB2 :: 2.184 HB3 :: 1.326(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.412 Ave N Shift Values>> N :: 120.73(4.2) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.674 CA :: 64.109 CB :: 31.934 CG :: 27.115 CD :: 51.481 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.234 HB2 :: 2.230 HB3 :: 1.928 HG2 :: 1.977 HG3 :: 1.977 HD2 :: 3.723 HD3 :: 3.723 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.028 CA :: 59.923 CB :: 63.593 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.497 HA :: 4.202 HB2 :: 3.864 HB3 :: 3.864 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.622 Ave N Shift Values>> N :: 116.3(3.95) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.352 CA :: 61.867 CB :: 38.225 CG1 :: 27.740 CG2 :: 17.389 CD1 :: 13.203 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.447 HA :: 3.886 HB :: 1.654 HG12 :: 1.295 HG13 :: 1.039 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 HD11 :: 0.613 HD12 :: 0.613 HD13 :: 0.613 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.993 Ave N Shift Values>> N :: 121.6(4.72) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.34 R 0.23 M 0.03 C Shift Assignments>> C :: 176.352 CA :: 56.155 CB :: 32.450 CG :: 24.670 CD :: 28.790 CE :: 42.139 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.079 HA :: 4.198 HB2 :: 1.734 HB3 :: 1.678 HG2 :: 1.374 HG3 :: 1.302 HD2 :: 1.579 HD3 :: 1.579 HE2 :: 2.892 HE3 :: 2.892 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.995 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.19 M 0.03 C Shift Assignments>> C :: 176.715 CA :: 56.178 CB :: 33.001 CG :: 24.620 CD :: 28.836 CE :: 42.139 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.224 HA :: 4.276 HB2 :: 1.727 HB3 :: 1.622 HG2 :: 1.276 HG3 :: 1.174 HD2 :: 1.441 HD3 :: 1.441 HE2 :: 2.679 HE3 :: 2.679 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.339 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.543 CA :: 61.917 CB :: 69.867 CG2 :: 21.619 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.120 HA :: 4.257 HB :: 4.107 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.886 Ave N Shift Values>> N :: 115.7(5.05) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.1 K 0.08 Q 0.05 I 0.04 C Shift Assignments>> C :: 175.975 CA :: 56.418 CB :: 30.258 CG :: 36.190 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.394 HA :: 4.282 HB2 :: 1.970 HB3 :: 1.857 HG2 :: 2.174 HG3 :: 2.128 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.787 Ave N Shift Values>> N :: 120.68(3.68) 1.W64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.44 H 0.02 C Shift Assignments>> C :: 176.096 CA :: 57.435 CB :: 29.779 CD1 :: 127.321 CE3 :: 120.993 CZ2 :: 114.590 CH2 :: 124.614 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.253 HA :: 4.680 HB2 :: 3.258 HB3 :: 3.211 HD1 :: 7.225 HE1 :: 10.089 HE3 :: 7.601 HZ2 :: 7.448 HH2 :: 7.189 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.641 NE1 :: 129.600 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.886 CB :: 64.140 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.067 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.887 Ave N Shift Values>> N :: 116.3(3.95) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.47 L 0.21 R 0.16 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.503 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.314 HA2 :: 3.867 HA3 :: 3.743 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.233 CB :: 32.232 CG :: 27.186 CD :: 49.737 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.458 HB2 :: 2.296 HB3 :: 1.972 HG2 :: 2.017 HG3 :: 2.017 HD2 :: 3.593 HD3 :: 3.548 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.522 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.504 Ave N Shift Values>> N :: 116.3(3.95) 1.S69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 62 #Clerical: 0 #Suspicious: 5 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 61 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 67 #Suspicious: 3 C Shift Results: #Consistent: 273 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 426 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 5 N Shift Results: #Consistent: 66 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E16 HB2 = 2.840(S), Expected = 2.04, Std = 0.2200, ChiSquare = 2.7651e-04 1.V24 HG11 = -0.593(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.1120e-07 1.V24 HG12 = -0.593(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.1120e-07 1.V24 HG13 = -0.593(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.1120e-07 1.K26 HG3 = 0.285(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.8301e-04 1.K42 HG3 = 0.365(S), Expected = 1.37, Std = 0.2900, ChiSquare = 5.2921e-04 1.K42 HD3 = 0.584(S), Expected = 1.61, Std = 0.2500, ChiSquare = 4.0607e-05 1.K42 HE2 = 1.185(A), Expected = 2.93, Std = 0.2000, ChiSquare = 2.6618e-18 1.K42 HE3 = 0.776(A), Expected = 2.93, Std = 0.2000, ChiSquare = 4.7700e-27 1.K42 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K42 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K42 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 1.K42 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.K42 SRO Rule Break>> HE3 > HG2 : 0.999326372515999 1.K42 SRO Rule Break>> HE2 > HD2 : 0.998085513720485 1.K42 SRO Rule Break>> HE3 > HD2 : 0.998931243320271 1.K48 HA = 1.890(S), Expected = 4.28, Std = 0.4500, ChiSquare = 1.0896e-07 1.K48 HB3 = 0.362(S), Expected = 1.78, Std = 0.2600, ChiSquare = 4.9292e-08 1.K48 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K48 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.R50 HG3 = -0.530(A), Expected = 1.58, Std = 0.2700, ChiSquare = 5.5044e-15 1.R50 HD3 = 0.899(A), Expected = 3.13, Std = 0.2200, ChiSquare = 3.6370e-24 1.R50 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R50 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.W51 HD1 = 5.257(A), Expected = 7.16, Std = 0.3400, ChiSquare = 2.1802e-08 1.D56 HA = 3.261(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.3514e-05 1.D56 HB3 = 1.326(S), Expected = 2.70, Std = 0.2900, ChiSquare = 2.1591e-06