Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 L 0.29 G 0.07 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> C :: 183.054(S) CA :: 43.415 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.865(S) HA2 :: 3.233 HA3 :: 3.733 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.338 Ave N Shift Values>> N :: 109.67(3.87) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.24 R 0.16 K 0.08 C 0.04 F 0.04 N 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 176.061 CA :: 53.144 CB :: 42.761 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.43 HA :: 4.746 HB2 :: 2.351 HB3 :: 2.675 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.327 Ave N Shift Values>> N :: 120.65(3.86) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.705 CA :: 66.46 CB :: 32.669 CG1 :: 22.422 CG2 :: 22.422 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.549 HA :: 3.447 HB :: 2.11 HG11 :: 0.986 HG12 :: 0.986 HG13 :: 0.986 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.442 Ave N Shift Values>> N :: 121.14(4.54) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.14 K 0.05 Q 0.02 M 0.02 HN Overlap>> 1.H33 1.H33 1.Y74 1.Y74 C Shift Assignments>> C :: 180.435 CA :: 59.058 CB :: 29.7 CG :: 36.472 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 :: 8.068 HA :: 4.008 HB2 :: 2.072 HB3 :: 2.072 HG2 :: 2.297 HG3 :: 2.268 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 :: 120.767 Ave N Shift Values>> N :: 120.67(3.48) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.26 R 0.25 G 0.01 HN Overlap>> 1.Y67 1.Y67 C Shift Assignments>> C :: 180.659 CA :: 59.831 CB :: 33.106 CG :: 26.338 CD :: 29.272 CE :: 42.573 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 :: 8.022 HA :: 3.856 HB2 :: 1.607 HB3 :: 1.607 HG2 :: 1.305 HG3 :: 1.305 HD2 :: 1.579 HD3 :: 1.579 HE2 :: 2.857 HE3 :: 2.857 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.422 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 174.426 CA :: 46.997 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.587 HA2 :: 3.198 HA3 :: 3.907 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.678 Ave N Shift Values>> N :: 109.67(3.87) 1.K7 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.38 R 0.09 G 0.01 C Shift Assignments>> C :: 177.774 CA :: 59.47 CB :: 32.288 CG :: 24.755 CD :: 30.046 CE :: 42.443 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 :: 7.978 HA :: 2.232(S) HB2 :: 1.695 HB3 :: 1.695 HG2 :: 0.896 HG3 :: 0.896 HD2 :: 1.383 HD3 :: 1.383 HE2 :: 2.938 HE3 :: 2.938 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 :: 124.439 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.37 R 0.16 G 0.01 C Shift Assignments>> C :: 179.607 CA :: 59.706 CB :: 32.498 CG :: 25.657 CD :: 29.65 CE :: 42.26 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 :: 6.903 HA :: 3.85 HB2 :: 1.814 HB3 :: 1.814 HG2 :: 1.31 HG3 :: 1.31 HD2 :: 1.59 HD3 :: 1.59 HE2 :: 2.887 HE3 :: 2.887 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 :: 117.447 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.247 CA :: 64.988 CB :: 37.682 CG1 :: 28.384 CG2 :: 18.477 CD1 :: 14.634 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 :: 7.492 HA :: 3.48 HB :: 1.593 HG12 :: 0.88 HG21 :: 0.358 HG22 :: 0.358 HG23 :: 0.358 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.415 Ave N Shift Values>> N :: 121.46(4.28) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.14 F 0.12 Y 0.11 C Shift Assignments>> C :: 178.987 CA :: 63.111 CB :: 39.903 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.371 HA :: 3.416 HB2 :: 3.103 HB3 :: 2.696 HD1 :: 7.486 HD2 :: 7.506 HE1 :: 6.773 HE2 :: 6.868 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.305 Ave N Shift Values>> N :: 120.45(4.18) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.919 CA :: 66.838 CB :: 32.371 CG1 :: 21.722 CG2 :: 23.281 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.84 HA :: 3.818 HB :: 2.206 HG11 :: 1.073 HG12 :: 1.073 HG13 :: 1.073 HG21 :: 1.262 HG22 :: 1.262 HG23 :: 1.262 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.877 Ave N Shift Values>> N :: 121.14(4.54) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.22 E 0.17 K 0.17 M 0.06 I 0.02 C Shift Assignments>> C :: 178.518 CA :: 58.951 CB :: 29.917 CG :: 34.474 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.801 HA :: 4.107 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 2.256 HG3 :: 2.502 HE21 :: 6.796 HE22 :: 7.378 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 :: 117.713 NE2 :: 111.434 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 R 0.18 G 0.03 K 0.02 C Shift Assignments>> C :: 176.952 CA :: 56.95 CB :: 35.089 CG :: 26.852 CD :: 26.022 CE :: 42.543 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 :: 8.435 HA :: 4.286 HB2 :: 1.151 HB3 :: 1.151 HG2 :: 0.798 HG3 :: 0.798 HD2 :: 1.081 HD3 :: 1.081 HE2 :: 2.672 HE3 :: 2.672 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 :: 112.84 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.18 Y 0.16 F 0.12 E 0.08 D 0.07 M 0.03 L 0.02 I 0.02 C Shift Assignments>> C :: 178.611 CA :: 55.043 CB :: 37.82 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.059 HA :: 4.42 HB2 :: 2.742 HB3 :: 1.581 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.465 Ave N Shift Values>> N :: 120.17(4.64) 1.A15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.43 L 0.21 C 0.14 M 0.09 V 0.07 T 0.03 C Shift Assignments>> C :: 178.892 CA :: 55.549 CB :: 20.741 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.081 HA :: 5.926(S) HB1 :: 2.156 HB2 :: 2.156 HB3 :: 2.156 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.801 Ave N Shift Values>> N :: 123.23(3.54) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.22 Q 0.21 E 0.11 I 0.04 R 0.01 M 0.01 C Shift Assignments>> C :: 178.004 CA :: 59.499 CB :: 29.153 CG :: 34.292 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 :: 9.882 HA :: 4.677 HB2 :: 2.637 HB3 :: 2.407 HG2 :: 2.798 HG3 :: 2.966 HE21 :: 7.026 HE22 :: 7.603 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 :: 117.766 NE2 :: 111.825 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C17 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.28 C 0.27 Y 0.13 I 0.08 F 0.07 M 0.06 K 0.03 V 0.01 Q 0.01 C Shift Assignments>> C :: 175.926 CA :: 58.348 CB :: 36.453 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.567 HA :: 5.968 HB2 :: 7.068(A) HB3 :: 2.048 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.749 Ave N Shift Values>> N :: 120.17(4.64) 1.HSD18 Overall Status: Residue type HSD not supported. 1.T19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 T 0.3 C Shift Assignments>> C :: 176.45 CA :: 61.172 CB :: 73.084 CG2 :: 23.138 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 :: 10.573(S) HA :: 6.203(S) HB :: 5.52(S) HG21 :: 2.183(S) HG22 :: 2.183(S) HG23 :: 2.183(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.199 Ave N Shift Values>> N :: 115.42(4.75) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> CA :: 62.595 CB :: 33.146 CG1 :: 23.77 CG2 :: 19.281 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.85 HA :: 4.974 HB :: 2.18 HG11 :: 0.952 HG12 :: 0.952 HG13 :: 0.952 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 112.153 Ave N Shift Values>> N :: 121.14(4.54) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.41 E 0.4 M 0.1 I 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 178.385 CA :: 57.443 CB :: 30.716 CG :: 36.808 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 :: 9.468 HA :: 4.623 HB2 :: 2.192 HB3 :: 2.192 HG2 :: 2.496 HG3 :: 2.496 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) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.38 K 0.03 G 0.01 C Shift Assignments>> C :: 178.455 CA :: 58.772 CB :: 31.922 CG :: 27.115 CD :: 26.405 CE :: 42.221 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 :: 9.046 HA :: 3.362 HB2 :: 1.497 HB3 :: 1.497 HG2 :: 0.723 HG3 :: 0.723 HD2 :: 1.016 HD3 :: 1.016 HE2 :: 2.892 HE3 :: 2.892 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 :: 127.291 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 175.3 CA :: 45.495 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.382 HA2 :: 3.702 HA3 :: 4.024 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.212 Ave N Shift Values>> N :: 109.67(3.87) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.098 CA :: 45.296 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.248 HA2 :: 3.678 HA3 :: 4.193 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.27 Ave N Shift Values>> N :: 109.67(3.87) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.16 G 0.01 C Shift Assignments>> C :: 179.741 CA :: 56.405 CB :: 34.069 CG :: 25.015 CD :: 29.321 CE :: 42.527 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 :: 8.771 HA :: 4.226 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 1.651 HG3 :: 1.651 HD2 :: 1.831 HD3 :: 1.831 HE2 :: 3.074 HE3 :: 3.074 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.305 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.15 H 0.14 M 0.13 C 0.13 W 0.11 E 0.11 K 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 176.472 CA :: 56.321 CB :: 31.291 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.819 HA :: 5.015 HB2 :: 2.745 HB3 :: 3.05 HD2 :: 8.951(S) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.542 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.1 D 0.09 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.438 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 :: 8.14 HA :: 4.64 HE2 :: 3.477 HE3 :: 3.477 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 :: 126.438 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 172.334 CA :: 66.405 CB :: 69.165 CG2 :: 21.627 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 :: 7.895 HA :: 3.037 HB :: 3.026(S) HG21 :: -0.068(S) HG22 :: -0.068(S) HG23 :: -0.068(S) 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) 1.G29 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.25 N 0.21 Y 0.17 C 0.14 F 0.1 E 0.06 D 0.02 M 0.01 C Shift Assignments>> CA :: 37.77(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.934 HA2 :: 2.101(S) HA3 :: 2.101(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.174 Ave N Shift Values>> N :: 109.67(3.87) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.22 W 0.17 I 0.11 E 0.1 R 0.08 H 0.07 K 0.06 Q 0.06 V 0.05 M 0.01 C Shift Assignments>> C :: 178.203 CA :: 60.233 CB :: 29.826 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 :: 3.711 HB3 :: 1.329 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.N31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.23 L 0.21 D 0.15 F 0.14 Y 0.1 C 0.06 R 0.06 N 0.01 I 0.01 C Shift Assignments>> C :: 177.382 CA :: 56.396 CB :: 41.7 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 :: 11.549(S) HA :: 5.911(S) HB2 :: 2.855 HB3 :: 2.508 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 :: 127.641 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.49 C 0.3 R 0.14 L 0.05 C Shift Assignments>> C :: 175.707 CA :: 54.644 CB :: 44.788 CD2 :: 27.907 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 :: 9.534 HA :: 4.966 HB2 :: 2.564 HB3 :: 2.564 HG :: 2.335 HD11 :: 2.069(S) HD12 :: 2.069(S) HD13 :: 2.069(S) HD21 :: 1.574 HD22 :: 1.574 HD23 :: 1.574 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 :: 122.593 Ave N Shift Values>> N :: 121.86(3.9) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.22 V 0.2 P 0.07 C 0.07 S 0.04 F 0.03 Y 0.03 W 0.02 HN Overlap>> 1.E4 1.Y74 1.E4 1.Y74 C Shift Assignments>> C :: 178.262 CA :: 61.802 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.07 HD1 :: 7.527 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.713 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 HN Overlap>> 1.T78 1.T78 C Shift Assignments>> C :: 174.58 CA :: 46.358 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.969 HA2 :: 3.729 HA3 :: 3.96 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.406 Ave N Shift Values>> N :: 109.67(3.87) 1.L35 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.44 R 0.03 A 0.02 C Shift Assignments>> C :: 177.238 CA :: 58.403 CB :: 44.635 CG :: 19.596(S) CD1 :: 25.412 CD2 :: 27.071 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 :: 7.114 HA :: 3.593 HB2 :: 2.167 HB3 :: 2.167 HG :: 1.433 HD11 :: 0.433 HD12 :: 0.433 HD13 :: 0.433 HD21 :: 0.106 HD22 :: 0.106 HD23 :: 0.106 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.613 Ave N Shift Values>> N :: 121.86(3.9) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.31 F 0.27 C Shift Assignments>> C :: 177.954 CA :: 60.461 CB :: 37.505 CD1 :: 131.90 CD2 :: 130.50 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.604 HA :: 3.751 HB2 :: 3.161 HB3 :: 2.743 HD1 :: 6.848 HD2 :: 6.632 HE1 :: 6.764 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 112.666 Ave N Shift Values>> N :: 120.45(4.18) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 HN Overlap>> 1.G77 1.G77 C Shift Assignments>> C :: 173.567 CA :: 45.263 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.282 HA2 :: 3.436 HA3 :: 4.359 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.885 Ave N Shift Values>> N :: 109.67(3.87) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.39 R 0.03 C Shift Assignments>> C :: 175.127 CA :: 55.524 CB :: 33.658 CG :: 27.218 CD :: 45.331 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 :: 8.166 HA :: 4.618 HB2 :: 2.079 HB3 :: 2.079 HG2 :: 1.918 HG3 :: 1.918 HD2 :: 3.161 HD3 :: 3.161 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 :: 124.259 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.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.33 R 0.26 C Shift Assignments>> C :: 177.594 CA :: 55.876 CB :: 33.873 CG :: 25.967 CD :: 29.372 CE :: 42.252 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 :: 8.066 HA :: 4.875 HB2 :: 1.562 HB3 :: 1.562 HG2 :: 1.355 HG3 :: 1.355 HD2 :: 1.401 HD3 :: 1.401 HE2 :: 2.827 HE3 :: 2.827 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.624 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 176.908 CA :: 61.858 CB :: 69.194 CG2 :: 23.32 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 :: 7.543 HA :: 4.139 HB :: 4.446 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 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 :: 109.499 Ave N Shift Values>> N :: 115.42(4.75) 1.G41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.93 CA :: 46.206 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.139 HA2 :: 1.202(S) HA3 :: 3.045 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.984 Ave N Shift Values>> N :: 109.67(3.87) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.22 M 0.18 K 0.17 E 0.09 C Shift Assignments>> C :: 175.969 CA :: 54.94 CB :: 30.233 CG :: 34.064 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.683 HA :: 4.401 HB2 :: 2.088 HB3 :: 2.088 HG2 :: 2.078 HG3 :: 2.078 HE21 :: 6.826 HE22 :: 7.412 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 :: 113.478 NE2 :: 113.962 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> CA :: 51.91 CB :: 19.032 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.037 HA :: 4.756 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.988 Ave N Shift Values>> N :: 123.23(3.54) 1.P44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HG2 :: 2.059 HG3 :: 2.059 HD2 :: 3.832 HD3 :: 3.832 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.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.874 CA :: 46.173 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.898 HA2 :: 3.669 HA3 :: 4.245 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.F46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.25 Y 0.22 D 0.15 L 0.13 C 0.11 K 0.04 I 0.04 N 0.03 C Shift Assignments>> C :: 173.43 CA :: 56.857 CB :: 40.298 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.831 HA :: 3.64 HB2 :: 1.677(S) HB3 :: 0.616(S) HD1 :: 7.235 HD2 :: 7.235 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.026 Ave N Shift Values>> N :: 120.45(4.18) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 S 0.01 C Shift Assignments>> C :: 171.71 CA :: 61.398 CB :: 67.744 CG2 :: 21.687 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 :: 6.703 HA :: 3.745 HB :: 3.144 HG21 :: 0.678 HG22 :: 0.678 HG23 :: 0.678 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 :: 124.028 Ave N Shift Values>> N :: 115.42(4.75) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.18 L 0.15 Y 0.13 R 0.09 C 0.08 D 0.06 I 0.02 C Shift Assignments>> C :: 178.877 CA :: 57.975 CB :: 41.924 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 :: 7.958 HA :: 4.079 HB2 :: 3.107 HB3 :: 2.343 HD2 :: 6.575 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 :: 127.004 Ave N Shift Values>> N :: 120.52(4.2) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 176.431 CA :: 62.52 CB :: 71.711 CG2 :: 22.829 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 :: 9.604 HA :: 4.134 HB :: 4.648 HG21 :: 1.503 HG22 :: 1.503 HG23 :: 1.503 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 :: 112.939 Ave N Shift Values>> N :: 115.42(4.75) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 L 0.08 D 0.08 I 0.08 K 0.01 N 0.01 C Shift Assignments>> C :: 178.458 CA :: 57.728 CB :: 39.986 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.83 HA :: 4.22 HB2 :: 2.585 HB3 :: 2.585 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.168 Ave N Shift Values>> N :: 120.65(3.86) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.35 C 0.07 I 0.03 V 0.02 L 0.02 C Shift Assignments>> C :: 180.119 CA :: 55.626 CB :: 19.406 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.043 HA :: 4.155 HB1 :: 1.606 HB2 :: 1.606 HB3 :: 1.606 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.162 Ave N Shift Values>> N :: 123.23(3.54) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 F 0.15 Y 0.12 N 0.08 C 0.07 K 0.07 I 0.01 C Shift Assignments>> C :: 179.386 CA :: 55.377 CB :: 40.692 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 :: 8.548 HA :: 4.661 HB2 :: 3.135 HB3 :: 3.135 HD21 :: 6.911 HD22 :: 7.586 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.588 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.42 R 0.08 G 0.01 C Shift Assignments>> C :: 177.884 CA :: 59.869 CB :: 32.737 CG :: 24.837 CD :: 29.264 CE :: 42.481 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 :: 8.617 HA :: 3.723 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 1.386 HG3 :: 1.386 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 2.803 HE3 :: 2.803 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.697 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.24 F 0.09 Y 0.08 C 0.08 L 0.08 C Shift Assignments>> C :: 176.487 CA :: 53.587 CB :: 39.383 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 :: 8.155 HA :: 4.715 HB2 :: 2.917 HB3 :: 2.714 HD21 :: 7.44 HD22 :: 7.003 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.128 ND2 :: 112.724 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.2 R 0.1 G 0.01 C Shift Assignments>> C :: 178.095 CA :: 58.631 CB :: 30.548 CG :: 24.509 CD :: 31.047 CE :: 42.209 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 :: 6.992 HA :: 4.247 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 1.332 HG3 :: 1.332 HE2 :: 3.011 HE3 :: 3.011 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.902 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 174.871 CA :: 47.054 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.814 HA2 :: 3.701 HA3 :: 3.796 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.464 Ave N Shift Values>> N :: 109.67(3.87) 1.I57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.98 A 0.01 C Shift Assignments>> C :: 174.39 CA :: 58.054 CB :: 41.305 CG1 :: 26.675 CG2 :: 22.561(S) CD1 :: 14.536 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 :: 6.52 HA :: 4.463 HB :: 1.866 HG12 :: 1.147 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 HD11 :: -0.387(S) HD12 :: -0.387(S) HD13 :: -0.387(S) 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 :: 111.554 Ave N Shift Values>> N :: 121.46(4.28) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.074 CA :: 62.197 CB :: 70.074 CG2 :: 21.644 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 :: 8.234 HA :: 4.123 HB :: 3.737 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 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 :: 116.798 Ave N Shift Values>> N :: 115.42(4.75) 1.W59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.13 H 0.13 R 0.13 Q 0.12 K 0.09 M 0.05 I 0.01 V 0.01 C Shift Assignments>> C :: 174.014 CA :: 57.586 CB :: 30.013 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 :: 8.719 HA :: 4.654 HB2 :: 3.575 HB3 :: 2.098 HD1 :: 7.549 HE1 :: 9.532 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 :: 129.587 NE1 :: 125.562 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 R 0.14 A 0.08 G 0.05 C Shift Assignments>> C :: 174.984 CA :: 55.062 CB :: 34.414 CG :: 22.78 CD :: 25.392(S) CE :: 42.636 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 :: 7.963 HA :: 4.267 HB2 :: 2.293 HB3 :: 2.293 HG2 :: 1.612 HG3 :: 1.612 HD2 :: 1.415 HD3 :: 1.986 HE2 :: 2.921 HE3 :: 2.921 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.541 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.76 C 0.22 C Shift Assignments>> C :: 178.295 CA :: 63.716 CB :: 28.912 CG :: 38.075 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 :: 10.495(S) HA :: 3.605 HB2 :: 2.076 HB3 :: 2.076 HG2 :: 2.391 HG3 :: 2.391 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 :: 123.394 Ave N Shift Values>> N :: 120.67(3.48) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.36 E 0.18 K 0.01 C Shift Assignments>> C :: 179.891 CA :: 61.03 CB :: 29.784 CG :: 37.137 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 :: 9.539 HA :: 3.923 HB2 :: 2.012 HB3 :: 2.012 HG2 :: 2.354 HG3 :: 2.354 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 :: 114.897 Ave N Shift Values>> N :: 120.67(3.48) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 T 0.21 C Shift Assignments>> C :: 177.676 CA :: 63.27 CB :: 69.394 CG2 :: 24.724 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 :: 7.02 HA :: 4.334 HB :: 4.517 HG21 :: 1.349 HG22 :: 1.349 HG23 :: 1.349 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 :: 108.917 Ave N Shift Values>> N :: 115.42(4.75) 1.L64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 L 0.25 K 0.23 G 0.02 C Shift Assignments>> C :: 178.677 CA :: 58.403 CB :: 42.505 CD1 :: 27.293 CD2 :: 23.65 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 :: 8.486 HA :: 3.795 HB2 :: 1.512 HB3 :: 1.512 HG :: 0.46 HD11 :: -0.279(S) HD12 :: -0.279(S) HD13 :: -0.279(S) HD21 :: -0.609(S) HD22 :: -0.609(S) HD23 :: -0.609(S) 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 :: 122.453 Ave N Shift Values>> N :: 121.86(3.9) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.46 C Shift Assignments>> C :: 177.829 CA :: 58.337 CB :: 32.07 CG :: 31.813 CE :: 16.995 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.201 HA :: 3.612 HB2 :: 2.461 HB3 :: 2.461 HG2 :: 2.127 HG3 :: 1.912 HE1 :: 1.894 HE2 :: 1.894 HE3 :: 1.894 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.821 Ave N Shift Values>> N :: 120.09(3.57) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.37 M 0.11 I 0.03 Q 0.01 K 0.01 C Shift Assignments>> C :: 177.843 CA :: 58.5 CB :: 31.176 CG :: 36.603 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 :: 6.614 HA :: 4.329 HB2 :: 2.343 HB3 :: 2.063 HG2 :: 2.023 HG3 :: 2.456 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.013 Ave N Shift Values>> N :: 120.67(3.48) 1.Y67 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 F 0.02 HN Overlap>> 1.K5 1.K5 C Shift Assignments>> C :: 177.174 CA :: 60.431 CB :: 40.597 CD2 :: 124.442(S) 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 :: 8.055 HA :: 3.958 HB2 :: 3.232 HB3 :: 2.565 HD1 :: 6.543 HD2 :: 6.426 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 :: 121.476 Ave N Shift Values>> N :: 120.52(4.2) 1.L68 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.6 A 0.27 R 0.11 C Shift Assignments>> C :: 176.974 CA :: 55.952 CB :: 29.589(S) CG :: 41.475(A) CD1 :: 25.177 CD2 :: 19.988 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 :: 8.057 HA :: 2.573(S) HB2 :: 1.064 HB3 :: 1.064 HG :: 0.044(S) HD11 :: -0.675(S) HD12 :: -0.675(S) HD13 :: -0.675(S) HD21 :: -2.806(A) HD22 :: -2.806(A) HD23 :: -2.806(A) 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 :: 111.349 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CB > CG : 0.9976) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.36 I 0.14 K 0.03 M 0.02 Q 0.01 C Shift Assignments>> C :: 176.671 CA :: 58.972 CB :: 29.991 CG :: 36.877 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 :: 6.78 HA :: 3.823 HB2 :: 1.669 HB3 :: 1.669 HG2 :: 2.141 HG3 :: 2.141 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 :: 119.386 Ave N Shift Values>> N :: 120.67(3.48) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.1 C 0.1 Y 0.04 F 0.04 L 0.02 M 0.01 C Shift Assignments>> CA :: 52.079 CB :: 38.2 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 :: 6.648 HA :: 4.335 HB2 :: 3.169 HD21 :: 7.809 HD22 :: 7.296 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 :: 105.939 ND2 :: 110.069 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P71 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.94 P 0.05 C Shift Assignments>> C :: 178.905 CA :: 68.134 CB :: 34.099 CD :: 50.393 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 :: 5.411 HB2 :: 4.929(A) HB3 :: 5.162(A) HG2 :: 2.103 HD2 :: 4.284 HD3 :: 3.614 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.K72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 R 0.34 K 0.07 G 0.01 C Shift Assignments>> C :: 178.668 CA :: 59.533 CB :: 33.194 CG :: 26.271 CD :: 31.41 CE :: 42.423 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 :: 9.396 HA :: 5.203 HB2 :: 2.734(S) HB3 :: 2.734(S) HG2 :: 2.325(S) HG3 :: 2.325(S) HD2 :: 2.618(S) HD3 :: 2.618(S) HE2 :: 3.524 HE3 :: 3.524 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.879 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.35 K 0.19 G 0.02 C Shift Assignments>> C :: 179.369 CA :: 58.516 CB :: 33.855 CG :: 26.211 CD :: 30.392 CE :: 42.669 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 :: 7.781 HA :: 4.453 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 1.66 HG3 :: 1.66 HE2 :: 3.176 HE3 :: 3.176 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.836 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 F 0.21 Y 0.17 C 0.15 K 0.02 HN Overlap>> 1.H33 1.E4 1.H33 1.E4 C Shift Assignments>> C :: 176.66 CA :: 62.128 CB :: 40.92 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 :: 8.096 HA :: 4.732 HB2 :: 4.092 HB3 :: 3.822 HD1 :: 7.671 HD2 :: 6.582 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 :: 120.782 Ave N Shift Values>> N :: 120.52(4.2) 1.I75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.81 C 0.17 C Shift Assignments>> CA :: 60.018 CG2 :: 19.655 CD1 :: 13.899 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 :: 9.422 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 HD11 :: 2.019(S) HD12 :: 2.019(S) HD13 :: 2.019(S) 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 :: 115.452 Ave N Shift Values>> N :: 121.46(4.28) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 179.422 CA :: 64.964 CB :: 31.841 CD :: 51.426 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 :: 5.179 HB2 :: 2.252 HB3 :: 2.252 HG2 :: 2.06 HG3 :: 2.06 HD2 :: 4.2 HD3 :: 3.88 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.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.G37 1.G37 C Shift Assignments>> C :: 176.491 CA :: 45.161 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.324 HA2 :: 4.007 HA3 :: 4.574 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.897 Ave N Shift Values>> N :: 109.67(3.87) 1.T78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.G34 1.G34 C Shift Assignments>> C :: 173.519 CA :: 62.269 CB :: 71 CG2 :: 21.913 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 :: 8.977 HA :: 5.253 HB :: 5.89(S) HG21 :: 3.459(S) HG22 :: 3.459(S) HG23 :: 3.459(S) 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 :: 115.453 Ave N Shift Values>> N :: 115.42(4.75) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.4 R 0.05 Q 0.01 V 0.01 C Shift Assignments>> C :: 175.167 CA :: 55.692 CB :: 32.367 CG :: 24.42 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 :: 8.233 HA :: 4.906 HD2 :: 1.446 HD3 :: 1.446 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 :: 124.047 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.63 P 0.16 C 0.15 I 0.03 C Shift Assignments>> C :: 175.469 CA :: 64.697(S) CB :: 33.818 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.208 HA :: 2.801(S) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.146 Ave N Shift Values>> N :: 120.09(3.57) 1.I81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 175.576 CA :: 61.361 CB :: 35.892 CG2 :: 17.889 CD1 :: 11.834 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 :: 8.516 HA :: 5.05 HB :: 2.095 HG12 :: 1.376 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 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 :: 135.607(S) Ave N Shift Values>> N :: 121.46(4.28) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 R 0.14 C 0.12 F 0.08 L 0.07 Y 0.04 I 0.01 C Shift Assignments>> CA :: 59.849 CB :: 44.42 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.928 HA :: 3.52 HB2 :: 2.897 HB3 :: 2.897 HD1 :: 6.708 HD2 :: 6.708 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.603 Ave N Shift Values>> N :: 120.45(4.18) 1.A83 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.25 Y 0.19 D 0.17 I 0.12 N 0.1 L 0.06 C 0.05 C Shift Assignments>> CB :: 40.141(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HB1 :: 1.719 HB2 :: 1.719 HB3 :: 1.719 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.G84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 L 0.29 G 0.09 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.206 CA :: 43.506 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 4.719(S) HA2 :: 4.364 HA3 :: 2.861 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.443 Ave N Shift Values>> N :: 109.67(3.87) 1.I85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.58 C 0.4 HN Overlap>> 1.L94 1.L94 C Shift Assignments>> C :: 175.135 CA :: 59.341 CB :: 39.221 CG1 :: 26.087 CG2 :: 18.69 CD1 :: 13.79 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 :: 7.972 HA :: 3.841 HB :: 0.784(S) HG21 :: 0.522 HG22 :: 0.522 HG23 :: 0.522 HD11 :: -0.246 HD12 :: -0.246 HD13 :: -0.246 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 :: 121.145 Ave N Shift Values>> N :: 121.46(4.28) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.37 R 0.16 G 0.01 C Shift Assignments>> C :: 178.878 CA :: 58.742 CB :: 32.805 CG :: 25.224 CD :: 29.941 CE :: 42.493 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 :: 8.407 HA :: 3.935 HB2 :: 1.666 HB3 :: 1.666 HG2 :: 1.339 HG3 :: 1.339 HD2 :: 1.595 HD3 :: 1.595 HE2 :: 2.845 HE3 :: 2.845 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 :: 127.686 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.11 F 0.09 E 0.09 Y 0.09 C 0.09 K 0.08 R 0.07 H 0.06 S 0.06 Q 0.06 M 0.05 L 0.03 D 0.01 I 0.01 V 0.01 C Shift Assignments>> CA :: 57.666 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 :: 8.192 HA :: 4.125 HG2 :: 1.482 HG3 :: 1.482 HE2 :: 2.859 HE3 :: 2.859 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.624 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.31 R 0.15 G 0.01 C Shift Assignments>> C :: 178.422 CA :: 60.893 CB :: 32.773 CG :: 25.993 CD :: 29.742 CE :: 42.15 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 :: 8.953 HA :: 3.47 HB2 :: 1.734 HB3 :: 1.734 HG2 :: 1.219 HG3 :: 1.219 HD2 :: 1.56 HD3 :: 1.56 HE2 :: 2.837 HE3 :: 2.837 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 :: 129.496 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 176.16 CA :: 65.219 CB :: 68.202 CG2 :: 22.94 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 :: 8.168 HA :: 3.886 HB :: 3.983 HG21 :: 1.189 HG22 :: 1.189 HG23 :: 1.189 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 :: 110.431 Ave N Shift Values>> N :: 115.42(4.75) 1.E90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 E 0.3 I 0.14 M 0.03 K 0.01 C Shift Assignments>> C :: 178.756 CA :: 58.68 CB :: 30.317 CG :: 37.6 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 :: 6.051(S) HA :: 3.942 HB2 :: 1.615 HB3 :: 1.615 HG2 :: 2.035 HG3 :: 2.035 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 :: 119.164 Ave N Shift Values>> N :: 120.67(3.48) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 C 0.23 P 0.2 W 0.09 I 0.04 R 0.03 E 0.03 H 0.02 K 0.02 M 0.01 Q 0.01 C Shift Assignments>> C :: 177.637 CA :: 61.72 CB :: 31.311 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 :: 7.096 HA :: 3.179 HB2 :: 1.259 HB3 :: 1.259 HD2 :: 2.931 HD3 :: 2.931 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 :: 117.465 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.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.27 E 0.23 K 0.01 M 0.01 C Shift Assignments>> C :: 180.174 CA :: 59.783 CB :: 29.837 CG :: 37.501 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 :: 8.252 HA :: 3.533 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 2.204 HG3 :: 2.204 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.048 Ave N Shift Values>> N :: 120.67(3.48) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.13 L 0.04 D 0.04 C Shift Assignments>> C :: 177.791 CA :: 58.371 CB :: 39.567 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.177 HA :: 4.454 HB2 :: 2.371 HB3 :: 2.371 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.093 Ave N Shift Values>> N :: 120.65(3.86) 1.L94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 K 0.38 L 0.11 HN Overlap>> 1.I85 1.I85 C Shift Assignments>> C :: 178.413 CA :: 58.472 CB :: 41.515 CD1 :: 23.937 CD2 :: 27.599 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 :: 7.942 HA :: 3.772 HB2 :: 1.411 HB3 :: 1.027 HG :: 0.628 HD11 :: 0.562 HD12 :: 0.562 HD13 :: 0.562 HD21 :: -0.304(S) HD22 :: -0.304(S) HD23 :: -0.304(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.052 Ave N Shift Values>> N :: 121.86(3.9) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 176.377 CA :: 66.087 CB :: 37.798 CG1 :: 31.658 CG2 :: 18.159 CD1 :: 14.701 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 :: 8.388 HA :: 3.07 HB :: 1.622 HG12 :: 0.749 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 HD11 :: 0.395 HD12 :: 0.395 HD13 :: 0.395 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.807 Ave N Shift Values>> N :: 121.46(4.28) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.27 I 0.04 C 0.02 C Shift Assignments>> C :: 180.944 CA :: 55.411 CB :: 17.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.768 HA :: 3.891 HB1 :: 1.211 HB2 :: 1.211 HB3 :: 1.211 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.152 Ave N Shift Values>> N :: 123.23(3.54) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.21 Y 0.13 F 0.09 E 0.01 V 0.01 C Shift Assignments>> C :: 176.502 CA :: 62.043 CB :: 37.649 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 :: 7.909 HA :: 4.124 HB2 :: 3.506 HB3 :: 2.757 HD1 :: 6.465 HD2 :: 7.162 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 :: 118.271 Ave N Shift Values>> N :: 120.52(4.2) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.36 G 0.01 C Shift Assignments>> C :: 179.347 CA :: 57.975 CB :: 42.1 CD1 :: 25.262 CD2 :: 23.224 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 :: 8.706 HA :: 3.317 HB2 :: 1.773 HB3 :: 1.773 HG :: 1.022 HD11 :: -0.166 HD12 :: -0.166 HD13 :: -0.166 HD21 :: 0.424 HD22 :: 0.424 HD23 :: 0.424 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 :: 119.198 Ave N Shift Values>> N :: 121.86(3.9) 1.K99 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.47 K 0.42 R 0.08 G 0.01 C Shift Assignments>> C :: 177.135 CA :: 59.569 CB :: 32.273 CG :: 24.869 CD :: 29.64 CE :: 42.282 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 :: 8.801 HA :: 2.469(S) HB2 :: 1.434 HB3 :: 1.434 HG2 :: 1.116 HG3 :: 1.116 HD2 :: 0.163(S) HD3 :: 0.163(S) HE2 :: 0.709(A) HE3 :: 0.709(A) 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 :: 124.16 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE3 > HB2 : 0.9970) (HE2 > HB3 : 0.9957) (HE3 > HB3 : 0.9974) (HE2 > HG2 : 0.9988) (HE3 > HG2 : 0.9993) (HE2 > HG3 : 0.9987) (HE3 > HG3 : 0.9993) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.39 R 0.12 G 0.01 C Shift Assignments>> C :: 178.925 CA :: 58.206 CB :: 33.716 CG :: 24.799 CD :: 30.075 CE :: 42.435 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 :: 6.728 HA :: 4.058 HB2 :: 1.708 HB3 :: 1.708 HG2 :: 1.279 HG3 :: 1.279 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.992 HE3 :: 2.992 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 :: 117.416 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.33 C 0.05 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 180.023 CA :: 55.191 CB :: 19.281 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6 HA :: 4.017 HB1 :: 0.734 HB2 :: 0.734 HB3 :: 0.734 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.942 Ave N Shift Values>> N :: 123.23(3.54) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.419 CA :: 62.434 CB :: 69.7 CG2 :: 22.93 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 :: 7.874 HA :: 4.58 HB :: 4.848 HG21 :: 1.255 HG22 :: 1.255 HG23 :: 1.255 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 :: 102.435 Ave N Shift Values>> N :: 115.42(4.75) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.27 K 0.11 R 0.07 N 0.07 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 174.247 CA :: 53.053 CB :: 42.095 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 :: 7.11 HA :: 4.922 HB2 :: 2.823 HB3 :: 2.523 HD21 :: 6.42 HD22 :: 7.894 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.206 ND2 :: 114.494 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.34 M 0.11 I 0.03 C Shift Assignments>> CA :: 58.374 CB :: 31.514 CG :: 36.896 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.405 HA :: 4.293 HB2 :: 2.059 HB3 :: 2.059 HG2 :: 2.364 HG3 :: 2.364 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 :: 125.446 Ave N Shift Values>> N :: 120.67(3.48) 1.HEC105 Overall Status: Residue type HEC not supported. 2.HOH1 Overall Status: Residue type HOH not supported. ########################################################################### Overall Results: #Consistent: 72 #Clerical: 0 #Suspicious: 25 #Anomalous: 4 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 3 #Mistyped: 2 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 100 #Suspicious: 3 C Shift Results: #Consistent: 384 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 2 H Shift Results: #Consistent: 605 #Duplicate: 0 #Unknown: 0 #Suspicious: 62 #Anomalous: 8 N Shift Results: #Consistent: 101 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.G1 C = 183.054(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.0337e-06 1.G1 H = 5.865(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4925e-04 1.K7 HA = 2.232(S), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6247e-06 1.K7 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K7 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.A15 HA = 5.926(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.5287e-04 1.C17 HB2 = 7.068(A), Expected = 2.96, Std = 0.4400, ChiSquare = 9.9699e-21 1.T19 H = 10.573(S), Expected = 8.24, Std = 0.6200, ChiSquare = 1.6795e-04 1.T19 HA = 6.203(S), Expected = 4.46, Std = 0.4800, ChiSquare = 2.8205e-04 1.T19 HB = 5.52(S), Expected = 4.17, Std = 0.3300, ChiSquare = 4.2969e-05 1.T19 HG21 = 2.183(S), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7663e-06 1.T19 HG22 = 2.183(S), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7663e-06 1.T19 HG23 = 2.183(S), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7663e-06 1.H26 HD2 = 8.951(S), Expected = 7.00, Std = 0.4300, ChiSquare = 5.7004e-06 1.T28 HB = 3.026(S), Expected = 4.17, Std = 0.3300, ChiSquare = 5.2695e-04 1.T28 HG21 = -0.068(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.5031e-07 1.T28 HG22 = -0.068(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.5031e-07 1.T28 HG23 = -0.068(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.5031e-07 1.G29 Typing: Mistyped 1.G29 CA = 37.77(S), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5430e-08 1.G29 HA2 = 2.101(S), Expected = 3.97, Std = 0.3700, ChiSquare = 4.3870e-07 1.G29 HA3 = 2.101(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.1611e-06 1.N31 H = 11.549(S), Expected = 8.34, Std = 0.6300, ChiSquare = 3.5123e-07 1.N31 HA = 5.911(S), Expected = 4.67, Std = 0.3600, ChiSquare = 5.6638e-04 1.L32 HD11 = 2.069(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.4685e-06 1.L32 HD12 = 2.069(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.4685e-06 1.L32 HD13 = 2.069(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.4685e-06 1.L35 Typing: Suspicious 1.L35 CG = 19.596(S), Expected = 26.78, Std = 1.1000, ChiSquare = 6.5372e-11 1.G41 HA2 = 1.202(S), Expected = 3.97, Std = 0.3700, ChiSquare = 7.3714e-14 1.F46 HB2 = 1.677(S), Expected = 3.00, Std = 0.3700, ChiSquare = 3.4932e-04 1.F46 HB3 = 0.616(S), Expected = 2.93, Std = 0.4000, ChiSquare = 7.2512e-09 1.I57 CG2 = 22.561(S), Expected = 17.53, Std = 1.3600, ChiSquare = 2.1622e-04 1.I57 HD11 = -0.387(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.3387e-04 1.I57 HD12 = -0.387(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.3387e-04 1.I57 HD13 = -0.387(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.3387e-04 1.K60 CD = 25.392(S), Expected = 28.96, Std = 1.0800, ChiSquare = 9.5417e-04 1.E61 H = 10.495(S), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4303e-04 1.L64 HD11 = -0.279(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3785e-04 1.L64 HD12 = -0.279(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3785e-04 1.L64 HD13 = -0.279(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.3785e-04 1.L64 HD21 = -0.609(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.8887e-06 1.L64 HD22 = -0.609(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.8887e-06 1.L64 HD23 = -0.609(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.8887e-06 1.Y67 Typing: Suspicious 1.Y67 CD2 = 124.442(S), Expected = 132.73, Std = 1.3000, ChiSquare = 1.8250e-10 1.L68 Typing: Suspicious 1.L68 CB = 29.589(S), Expected = 42.31, Std = 1.8800, ChiSquare = 1.3194e-11 1.L68 CG = 41.475(A), Expected = 26.78, Std = 1.1000, ChiSquare = 1.0484e-40 1.L68 HA = 2.573(S), Expected = 4.32, Std = 0.4700, ChiSquare = 2.0159e-04 1.L68 HG = 0.044(S), Expected = 1.51, Std = 0.3300, ChiSquare = 8.8951e-06 1.L68 HD11 = -0.675(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.5941e-07 1.L68 HD12 = -0.675(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.5941e-07 1.L68 HD13 = -0.675(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.5941e-07 1.L68 HD21 = -2.806(A), Expected = 0.73, Std = 0.2900, ChiSquare = 3.3829e-34 1.L68 HD22 = -2.806(A), Expected = 0.73, Std = 0.2900, ChiSquare = 3.3829e-34 1.L68 HD23 = -2.806(A), Expected = 0.73, Std = 0.2900, ChiSquare = 3.3829e-34 1.L68 SRO Rule Break>> CB > CG : 0.997556008146639 1.P71 HB2 = 4.929(A), Expected = 2.08, Std = 0.3500, ChiSquare = 3.9528e-16 1.P71 HB3 = 5.162(A), Expected = 2.00, Std = 0.3600, ChiSquare = 1.5870e-18 1.K72 HB2 = 2.734(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.3563e-04 1.K72 HB3 = 2.734(S), Expected = 1.74, Std = 0.2700, ChiSquare = 2.3188e-04 1.K72 HG2 = 2.325(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.3965e-04 1.K72 HG3 = 2.325(S), Expected = 1.35, Std = 0.2800, ChiSquare = 4.9742e-04 1.K72 HD2 = 2.618(S), Expected = 1.61, Std = 0.2200, ChiSquare = 4.6095e-06 1.K72 HD3 = 2.618(S), Expected = 1.60, Std = 0.2200, ChiSquare = 3.7051e-06 1.I75 HD11 = 2.019(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.8887e-06 1.I75 HD12 = 2.019(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.8887e-06 1.I75 HD13 = 2.019(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.8887e-06 1.T78 HB = 5.89(S), Expected = 4.17, Std = 0.3300, ChiSquare = 1.8669e-07 1.T78 HG21 = 3.459(S), Expected = 1.14, Std = 0.2300, ChiSquare = 6.5951e-24 1.T78 HG22 = 3.459(S), Expected = 1.14, Std = 0.2300, ChiSquare = 6.5951e-24 1.T78 HG23 = 3.459(S), Expected = 1.14, Std = 0.2300, ChiSquare = 6.5951e-24 1.M80 CA = 64.697(S), Expected = 56.11, Std = 2.2300, ChiSquare = 1.1779e-04 1.M80 HA = 2.801(S), Expected = 4.41, Std = 0.4800, ChiSquare = 8.0206e-04 1.I81 N = 135.607(S), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4850e-04 1.A83 Typing: Mistyped 1.A83 CB = 40.141(A), Expected = 19.01, Std = 1.8300, ChiSquare = 7.6447e-31 1.G84 H = 4.719(S), Expected = 8.33, Std = 0.6500, ChiSquare = 2.7700e-08 1.I85 HB = 0.784(S), Expected = 1.78, Std = 0.2900, ChiSquare = 5.9369e-04 1.E90 H = 6.051(S), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1214e-04 1.L94 HD21 = -0.304(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6314e-04 1.L94 HD22 = -0.304(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6314e-04 1.L94 HD23 = -0.304(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6314e-04 1.K99 HA = 2.469(S), Expected = 4.27, Std = 0.4400, ChiSquare = 4.2549e-05 1.K99 HD2 = 0.163(S), Expected = 1.61, Std = 0.2200, ChiSquare = 4.7916e-11 1.K99 HD3 = 0.163(S), Expected = 1.60, Std = 0.2200, ChiSquare = 6.4976e-11 1.K99 HE2 = 0.709(A), Expected = 2.92, Std = 0.1900, ChiSquare = 2.6775e-31 1.K99 HE3 = 0.709(A), Expected = 2.91, Std = 0.2000, ChiSquare = 3.6152e-28 1.K99 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K99 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K99 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 1.K99 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.K99 SRO Rule Break>> HE2 > HG2 : 0.998788612961841 1.K99 SRO Rule Break>> HE3 > HG2 : 0.999326372515999 1.K99 SRO Rule Break>> HE2 > HG3 : 0.998688524590164 1.K99 SRO Rule Break>> HE3 > HG3 : 0.999328182734296