Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 179.290 CA :: 45.813 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.041 HA3 :: 4.145 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.28 V 0.21 P 0.19 T 0.16 I 0.12 C Shift Assignments>> C :: 175.278 CB :: 64.563 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.031 HA :: 4.542 HB2 :: 4.049 HB3 :: 4.229 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.3 D 0.12 L 0.11 I 0.07 N 0.03 K 0.02 C Shift Assignments>> C :: 178.633 CA :: 57.271 CB :: 39.981 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 :: 8.885 HA :: 4.529 HB2 :: 2.685 HB3 :: 2.709 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.059 Ave N Shift Values>> N :: 120.65(3.86) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.7 K 0.19 E 0.09 HN Overlap>> 1.E33 1.E33 1.D62 1.D62 C Shift Assignments>> C :: 178.495 CA :: 55.472 CB :: 31.197 CG :: 33.364 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 :: 8.217 HA :: 4.238 HB2 :: 2.708 HB3 :: 2.708 HG2 :: 2.240 HG3 :: 2.240 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 :: 119.487 Ave N Shift Values>> N :: 120.67(3.48) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.36 K 0.06 Q 0.02 C Shift Assignments>> C :: 179.384 CA :: 59.598 CB :: 29.568 CG :: 36.755 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 :: 8.049 HA :: 4.097 HB2 :: 2.240 HB3 :: 2.240 HG2 :: 2.374 HG3 :: 2.374 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 :: 120.402 Ave N Shift Values>> N :: 120.67(3.48) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.241 CA :: 64.806 CB :: 37.787 CG1 :: 29.855 CG2 :: 18.094 CD1 :: 13.982 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 :: 8.077 HA :: 3.695 HB :: 2.005 HG12 :: 1.014 HG13 :: 1.777 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 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 :: 119.060 Ave N Shift Values>> N :: 121.46(4.28) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.23 K 0.03 C Shift Assignments>> C :: 178.330 CA :: 60.886 CB :: 29.855 CG :: 27.552 CD :: 43.429 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 :: 8.340 HA :: 3.805 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 1.600 HG3 :: 1.729 HD2 :: 3.201 HD3 :: 3.201 HE :: 8.217 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.844 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.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 179.662 CA :: 59.684 CB :: 32.436 CG :: 25.226 CD :: 29.179 CE :: 42.237 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 :: 7.987 HA :: 4.100 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 1.524 HG3 :: 1.655 HD2 :: 1.738 HD3 :: 1.738 HE2 :: 3.015 HE3 :: 3.015 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 :: 118.119 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.32 G 0.01 HN Overlap>> 1.K98 1.E91 1.K98 1.E91 C Shift Assignments>> C :: 180.283 CA :: 59.266 CB :: 32.752 CG :: 25.757 CD :: 29.636 CE :: 42.236 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 :: 7.906 HA :: 4.158 HB2 :: 1.876 HB3 :: 1.876 HG2 :: 1.772 HG3 :: 1.772 HD2 :: 1.600 HD3 :: 1.600 HE2 :: 2.968 HE3 :: 2.968 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 :: 118.858 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.24 Y 0.19 L 0.15 D 0.07 I 0.04 R 0.04 C Shift Assignments>> C :: 178.388 CA :: 58.006 CB :: 41.446 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 :: 8.652 HA :: 4.054 HB2 :: 1.398 HB3 :: 2.065 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 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 :: 121.434 Ave N Shift Values>> N :: 121.86(3.9) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.41 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.790 CA :: 59.553 CB :: 29.537 CG :: 37.019 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 :: 8.406 HA :: 4.092 HB2 :: 2.288 HB3 :: 2.288 HG2 :: 2.573 HG3 :: 2.573 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 :: 120.194 Ave N Shift Values>> N :: 120.67(3.48) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.31 K 0.09 Q 0.04 HN Overlap>> 1.E66 1.E66 C Shift Assignments>> C :: 178.935 CA :: 59.575 CB :: 29.386 CG :: 36.388 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 :: 7.889 HA :: 4.093 HG2 :: 2.520 HG3 :: 2.520 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 :: 119.716 Ave N Shift Values>> N :: 120.67(3.48) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.16 K 0.01 HN Overlap>> 1.L63 1.L63 C Shift Assignments>> C :: 177.942 CA :: 58.102 CB :: 41.550 CG :: 27.236 CD1 :: 24.105 CD2 :: 26.542 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 :: 7.833 HA :: 4.061 HB2 :: 1.581 HB3 :: 2.056 HG :: 1.404 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.806 HD22 :: 0.806 HD23 :: 0.806 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 :: 122.114 Ave N Shift Values>> N :: 121.86(3.9) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 I 0.11 V 0.04 L 0.02 HN Overlap>> 1.D82 1.D82 C Shift Assignments>> C :: 180.359 CA :: 55.856 CB :: 18.958 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.407 HA :: 3.891 HB1 :: 1.683 HB2 :: 1.683 HB3 :: 1.683 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.005 Ave N Shift Values>> N :: 123.23(3.54) 1.K15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.84 G 0.07 K 0.05 V 0.02 C Shift Assignments>> C :: 179.749 CA :: 59.128 CB :: 32.460 CG :: 25.214 CD :: 25.031(S) 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 :: 7.845 HA :: 4.157 HB2 :: 1.997 HB3 :: 1.997 HD2 :: 1.993 HD3 :: 1.993 HE2 :: 3.013 HE3 :: 3.013 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 :: 117.215 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.17 K 0.07 HN Overlap>> 1.E33 1.E33 1.D62 1.R44 1.D62 1.R44 C Shift Assignments>> C :: 178.656 CA :: 59.113 CB :: 30.422 CG :: 27.727 CD :: 43.604 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 :: 8.150 HA :: 4.185 HB2 :: 1.973 HB3 :: 1.973 HG2 :: 1.724 HG3 :: 1.825 HD2 :: 3.275 HD3 :: 3.275 HE :: 8.160 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.591 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.K17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.83 K 0.07 G 0.06 A 0.01 C Shift Assignments>> C :: 177.022 CA :: 55.147 CB :: 32.604 CG :: 25.060 CD :: 25.071(S) CE :: 42.097 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 :: 8.201 HA :: 4.409 HB2 :: 1.936 HB3 :: 1.936 HG2 :: 1.385 HG3 :: 1.385 HD2 :: 1.383 HD3 :: 1.576 HE2 :: 2.864 HE3 :: 2.864 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 :: 115.030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.574 CA :: 46.804 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.010 HA2 :: 3.982 HA3 :: 3.982 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.141 Ave N Shift Values>> N :: 109.67(3.87) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 G 0.08 A 0.02 R 0.01 C Shift Assignments>> C :: 174.492 CA :: 53.731 CB :: 36.100 CG :: 24.928 CE :: 42.273 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 :: 7.878 HA :: 4.681 HB2 :: 1.401 HB3 :: 1.827 HG2 :: 1.377 HG3 :: 1.377 HE2 :: 3.017 HE3 :: 3.017 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 :: 117.666 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 K 0.14 N 0.08 F 0.07 Y 0.05 R 0.04 C Shift Assignments>> C :: 175.228 CA :: 53.991 CB :: 41.635 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 :: 8.395 HA :: 4.682 HB2 :: 2.620 HB3 :: 2.754 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 :: 120.524 Ave N Shift Values>> N :: 120.65(3.86) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 G 0.35 R 0.02 C Shift Assignments>> C :: 174.991 CA :: 54.335 CB :: 44.112 CG :: 25.756 CD1 :: 25.759 CD2 :: 25.759 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 :: 7.952 HA :: 4.780 HB2 :: 1.462 HB3 :: 1.493 HG :: 0.798 HD21 :: 0.803 HD22 :: 0.803 HD23 :: 0.803 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.933 Ave N Shift Values>> N :: 121.86(3.9) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.69 E 0.28 K 0.02 C Shift Assignments>> C :: 173.391 CA :: 54.891 CB :: 32.293 CG :: 34.161 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 :: 7.702 HA :: 4.612 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 2.328 HG3 :: 2.392 HE21 :: 6.848 HE22 :: 7.833 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.777 NE2 :: 112.811 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.44 R 0.09 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 176.631 CA :: 53.962 CB :: 44.469 CG :: 27.944 CD1 :: 25.388 CD2 :: 25.715 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 :: 8.664 HA :: 5.513 HB2 :: 1.369 HB3 :: 1.681 HG :: 1.494 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 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 :: 125.314 Ave N Shift Values>> N :: 121.86(3.9) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 R 0.38 K 0.16 C Shift Assignments>> C :: 173.733 CA :: 54.021 CB :: 35.193 CG :: 27.139 CD :: 43.337 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 :: 9.109 HA :: 4.632 HB2 :: 1.362 HB3 :: 1.470 HG2 :: 1.406 HG3 :: 1.542 HD2 :: 3.052 HD3 :: 3.284 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.375 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.R25 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.64 K 0.23 G 0.11 C Shift Assignments>> C :: 175.139 CA :: 55.120 CB :: 32.036 CG :: 28.051 CD :: 43.381 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 :: 8.268 HA :: 4.937 HB2 :: 1.578 HB3 :: 1.717 HG2 :: 1.411 HG3 :: 1.520 HD2 :: 3.113 HD3 :: 3.191 HE :: 4.932(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.966 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HE > HA : 0.9911) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 G 0.4 C Shift Assignments>> C :: 174.268 CA :: 56.326 CB :: 43.874 CD1 :: 132.732 CD2 :: 132.732 CE1 :: 118.346 CE2 :: 118.346 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 :: 8.227 HA :: 4.952 HB2 :: 2.354 HB3 :: 3.109 HD1 :: 7.067 HD2 :: 7.067 HE1 :: 6.712 HE2 :: 6.712 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 :: 121.527 Ave N Shift Values>> N :: 120.52(4.2) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.22 L 0.19 F 0.07 Y 0.06 K 0.04 HN Overlap>> 1.D28 1.E31 1.D28 1.E31 1.L89 1.L89 C Shift Assignments>> C :: 174.268 CA :: 53.286 CB :: 40.789 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 :: 7.691 HA :: 4.967 HB2 :: 2.856 HB3 :: 2.881 HD21 :: 6.950 HD22 :: 7.721 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 :: 119.893 ND2 :: 113.356 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.21 D 0.14 R 0.11 N 0.02 F 0.01 K 0.01 HN Overlap>> 1.E31 1.N27 1.E31 1.N27 C Shift Assignments>> CA :: 50.885 CB :: 43.456 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 :: 7.694 HA :: 5.189 HB2 :: 2.770 HB3 :: 2.956 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 :: 119.925 Ave N Shift Values>> N :: 120.65(3.86) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.492 CA :: 65.019 CB :: 32.436 CG :: 27.458 CD :: 51.407 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.000 HB2 :: 2.011 HB3 :: 2.135 HG2 :: 1.923 HG3 :: 2.136 HD2 :: 4.012 HD3 :: 4.012 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.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.24 N 0.14 E 0.1 D 0.07 I 0.06 L 0.03 C Shift Assignments>> C :: 178.102 CA :: 56.351 CB :: 38.089 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 :: 8.716 HA :: 4.552 HB2 :: 2.781 HB3 :: 2.985 HD21 :: 7.033 HD22 :: 8.015 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 :: 117.086 ND2 :: 114.684 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 I 0.13 K 0.11 Q 0.07 HN Overlap>> 1.D28 1.D28 1.N27 1.N27 C Shift Assignments>> C :: 179.035 CA :: 58.226 CB :: 29.948 CG :: 36.304 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 :: 7.605 HA :: 4.067 HB2 :: 1.875 HB3 :: 2.031 HG2 :: 2.147 HG3 :: 2.308 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 :: 119.899 Ave N Shift Values>> N :: 120.67(3.48) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.487 CA :: 66.626 CB :: 31.276 CG1 :: 21.783 CG2 :: 24.252 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 :: 7.374 HA :: 3.125 HB :: 2.167 HG11 :: 0.756 HG12 :: 0.756 HG13 :: 0.756 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 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 :: 119.031 Ave N Shift Values>> N :: 121.14(4.54) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 E 0.38 K 0.09 Q 0.04 HN Overlap>> 1.R16 1.E4 1.D62 1.R16 1.E4 1.D62 C Shift Assignments>> C :: 177.264 CA :: 60.730 CB :: 29.078 CG :: 35.994 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 :: 8.188 HA :: 3.628 HB2 :: 2.151 HB3 :: 2.151 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 :: 119.522 Ave N Shift Values>> N :: 120.67(3.48) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.14 G 0.01 C Shift Assignments>> C :: 179.449 CA :: 59.964 CB :: 32.678 CG :: 24.995 CD :: 29.541 CE :: 42.168 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 :: 7.602 HA :: 3.927 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 1.436 HG3 :: 1.583 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 2.966 HE3 :: 2.966 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 :: 116.597 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.439 CA :: 61.874 CB :: 63.100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.880 HA :: 4.278 HB2 :: 3.867 HB3 :: 3.867 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.463 Ave N Shift Values>> N :: 116.28(3.52) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.036 CA :: 66.628 CB :: 37.186 CG1 :: 29.038 CG2 :: 18.670 CD1 :: 14.503 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 :: 8.507 HA :: 3.628 HB :: 1.880 HG12 :: 0.834 HG13 :: 2.033 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.632 HD12 :: 0.632 HD13 :: 0.632 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.176 Ave N Shift Values>> N :: 121.46(4.28) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 R 0.32 K 0.17 C Shift Assignments>> C :: 179.257 CA :: 61.251 CB :: 29.793 CG :: 29.740 CD :: 43.262 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 :: 8.272 HA :: 3.854 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 1.584 HG3 :: 1.584 HD2 :: 3.123 HD3 :: 3.123 HE :: 8.025 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 :: 118.062 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.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.25 K 0.1 Q 0.05 HN Overlap>> 1.R95 1.R95 C Shift Assignments>> C :: 177.806 CA :: 59.484 CB :: 29.664 CG :: 36.236 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 :: 7.772 HA :: 4.094 HB2 :: 2.118 HB3 :: 2.118 HG2 :: 2.233 HG3 :: 2.358 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 :: 117.940 Ave N Shift Values>> N :: 120.67(3.48) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 I 0.21 V 0.02 C Shift Assignments>> C :: 180.608 CA :: 55.993 CB :: 18.338 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.988 HA :: 3.984 HB1 :: 1.538 HB2 :: 1.538 HB3 :: 1.538 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.862 Ave N Shift Values>> N :: 123.23(3.54) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.09 A 0.02 G 0.02 C Shift Assignments>> C :: 180.426 CA :: 57.430 CB :: 42.082 CG :: 26.583 CD1 :: 22.393 CD2 :: 25.446 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 :: 8.330 HA :: 4.108 HB2 :: 1.454 HB3 :: 1.881 HG :: 1.680 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 HD21 :: 0.620 HD22 :: 0.620 HD23 :: 0.620 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 :: 116.549 Ave N Shift Values>> N :: 121.86(3.9) 1.K41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.87 G 0.07 K 0.05 C Shift Assignments>> C :: 178.712 CA :: 59.068 CB :: 32.506 CD :: 25.320(S) CE :: 42.228 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 :: 7.757 HA :: 4.150 HB2 :: 1.995 HB3 :: 1.995 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 3.013 HE3 :: 3.013 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 :: 119.184 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.22 G 0.19 HN Overlap>> 1.S100 1.S100 C Shift Assignments>> C :: 176.876 CA :: 55.887 CB :: 33.156 CE :: 43.571 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 :: 4.425 HB2 :: 1.744 HB3 :: 1.744 HG2 :: 1.628 HG3 :: 1.628 HE2 :: 2.988 HE3 :: 2.988 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 :: 115.055 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.204 CA :: 47.003 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.854 HA2 :: 4.056 HA3 :: 4.115 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.922 Ave N Shift Values>> N :: 109.67(3.87) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.22 G 0.14 HN Overlap>> 1.R16 1.R16 C Shift Assignments>> C :: 175.241 CA :: 54.863 CB :: 32.400 CD :: 43.397 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 :: 8.213 HA :: 4.595 HB2 :: 1.595 HB3 :: 1.935 HG2 :: 1.601 HG3 :: 1.601 HD2 :: 3.115 HD3 :: 3.192 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.652 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.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.585 CA :: 62.602 CB :: 69.250 CG2 :: 21.339 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 :: 8.395 HA :: 5.361 HB :: 4.138 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 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 :: 118.768 Ave N Shift Values>> N :: 115.42(4.75) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.4 A 0.04 C Shift Assignments>> C :: 173.661 CA :: 53.242 CB :: 47.110 CG :: 27.508 CD1 :: 24.264 CD2 :: 24.264 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 :: 9.094 HA :: 5.144 HB2 :: 1.370 HB3 :: 1.511 HG :: 1.408 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.843 HD22 :: 0.843 HD23 :: 0.843 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 :: 129.913 Ave N Shift Values>> N :: 121.86(3.9) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 V 0.07 C Shift Assignments>> C :: 174.223 CA :: 60.471 CB :: 39.611 CG1 :: 29.805 CG2 :: 19.915 CD1 :: 16.646 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 :: 8.956 HA :: 5.152 HB :: 1.907 HG12 :: 1.262 HG13 :: 1.594 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 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 :: 124.358 Ave N Shift Values>> N :: 121.46(4.28) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.05 G 0.04 C Shift Assignments>> C :: 174.878 CA :: 58.787 CB :: 42.085 CG1 :: 28.228 CG2 :: 18.447 CD1 :: 15.502 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 :: 9.443 HA :: 5.067 HB :: 1.672 HG12 :: 1.017 HG13 :: 1.581 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 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 :: 127.092 Ave N Shift Values>> N :: 121.46(4.28) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.542 CA :: 60.200 CB :: 39.267 CG1 :: 26.783 CG2 :: 17.204 CD1 :: 14.380 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 :: 8.468 HA :: 4.709 HB :: 1.384 HG12 :: 0.007 HG13 :: 1.127 HG21 :: 0.477 HG22 :: 0.477 HG23 :: 0.477 HD11 :: 0.531 HD12 :: 0.531 HD13 :: 0.531 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 :: 125.966 Ave N Shift Values>> N :: 121.46(4.28) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.142 CA :: 58.470 CB :: 39.552 CG1 :: 28.914 CG2 :: 15.555 CD1 :: 14.531 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 :: 8.747 HA :: 4.797 HB :: 1.670 HG12 :: 0.969 HG13 :: 1.517 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.637 HD12 :: 0.637 HD13 :: 0.637 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 :: 125.138 Ave N Shift Values>> N :: 121.46(4.28) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 Y 0.14 E 0.11 F 0.1 D 0.07 L 0.02 I 0.01 C Shift Assignments>> C :: 175.091 CA :: 54.170 CB :: 37.486 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 :: 9.268 HA :: 4.337 HB2 :: 2.702 HB3 :: 3.073 HD21 :: 6.942 HD22 :: 7.411 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 :: 126.141 ND2 :: 111.419 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.279 CA :: 45.670 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.249 HA2 :: 3.586 HA3 :: 4.111 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.699 Ave N Shift Values>> N :: 109.67(3.87) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.339 CA :: 61.179 CB :: 33.670 CG1 :: 21.303 CG2 :: 21.552 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 :: 8.043 HA :: 4.368 HB :: 2.145 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 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 :: 122.156 Ave N Shift Values>> N :: 121.14(4.54) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.773 CA :: 57.071 CB :: 41.245 CD1 :: 130.679 CD2 :: 130.679 CE1 :: 131.637 CE2 :: 131.637 CZ :: 129.378 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 :: 8.481 HA :: 5.099 HB2 :: 2.457 HB3 :: 3.213 HD1 :: 7.045 HD2 :: 7.045 HE1 :: 7.046 HE2 :: 7.046 HZ :: 7.210 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 :: 123.213 Ave N Shift Values>> N :: 120.45(4.18) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 P 0.11 K 0.1 W 0.07 Q 0.05 R 0.04 H 0.03 E 0.02 I 0.01 C Shift Assignments>> C :: 174.843 CA :: 61.081 CB :: 33.152 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 :: 9.742 HA :: 4.810 HB :: 2.079 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 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 :: 124.816 Ave N Shift Values>> N :: 121.14(4.54) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.494 CA :: 61.998 CB :: 32.746 CG1 :: 21.284 CG2 :: 22.372 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 :: 9.154 HA :: 4.487 HB :: 2.221 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 128.001 Ave N Shift Values>> N :: 121.14(4.54) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.077 CA :: 59.989 CB :: 32.906 CG1 :: 21.357 CG2 :: 21.580 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 :: 9.212 HA :: 5.120 HB :: 2.393 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 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 :: 128.673 Ave N Shift Values>> N :: 121.14(4.54) 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 :: 173.266 CA :: 58.455 CB :: 63.926 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.088 HA :: 4.531 HB2 :: 3.154 HB3 :: 4.201 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.261 Ave N Shift Values>> N :: 116.28(3.52) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.458 CA :: 61.272 CB :: 69.364 CG2 :: 22.022 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 :: 8.058 HA :: 4.652 HB :: 4.651 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 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 :: 110.449 Ave N Shift Values>> N :: 115.42(4.75) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.23 N 0.15 K 0.09 F 0.06 Y 0.04 R 0.01 C Shift Assignments>> C :: 175.410 CA :: 52.858 CB :: 41.394 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 :: 8.376 HA :: 4.770 HB2 :: 2.457 HB3 :: 3.057 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 :: 123.765 Ave N Shift Values>> N :: 120.65(3.86) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.36 K 0.06 Q 0.02 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> CA :: 60.006 CB :: 29.715 CG :: 36.510 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 :: 8.761 HA :: 3.912 HB2 :: 2.109 HB3 :: 2.109 HG2 :: 2.302 HG3 :: 2.422 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 :: 125.259 Ave N Shift Values>> N :: 120.67(3.48) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.22 L 0.17 Y 0.17 D 0.11 R 0.03 I 0.03 HN Overlap>> 1.E33 1.R16 1.E4 1.E33 1.R16 1.E4 C Shift Assignments>> C :: 178.302 CA :: 57.403 CB :: 41.381 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 :: 8.206 HA :: 4.464 HB2 :: 2.738 HB3 :: 2.807 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 :: 119.532 Ave N Shift Values>> N :: 120.65(3.86) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.2 L 0.18 Y 0.16 D 0.1 R 0.04 I 0.02 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> C :: 179.131 CA :: 57.396 CB :: 41.537 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 :: 7.758 HA :: 4.101 HB2 :: 1.590 HB3 :: 1.817 HG :: 0.911 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 122.147 Ave N Shift Values>> N :: 121.86(3.9) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.490 CA :: 66.543 CB :: 37.797 CG1 :: 29.491 CG2 :: 18.313 CD1 :: 13.208 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 :: 8.353 HA :: 3.395 HB :: 1.877 HG12 :: 0.793 HG13 :: 1.751 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 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 :: 118.484 Ave N Shift Values>> N :: 121.46(4.28) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.21 K 0.09 HN Overlap>> 1.R94 1.R94 C Shift Assignments>> C :: 179.548 CA :: 60.098 CB :: 30.292 CG :: 28.266 CD :: 43.521 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 :: 7.633 HA :: 3.914 HB2 :: 1.982 HB3 :: 2.049 HG2 :: 1.595 HG3 :: 1.873 HD2 :: 3.295 HD3 :: 3.317 HE :: 7.632 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 :: 118.183 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.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.21 K 0.1 Q 0.06 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> C :: 178.909 CA :: 59.205 CB :: 29.762 CG :: 36.214 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 :: 7.788 HA :: 4.194 HB2 :: 2.115 HB3 :: 2.115 HG2 :: 2.314 HG3 :: 2.345 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 :: 119.720 Ave N Shift Values>> N :: 120.67(3.48) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.619 CA :: 66.157 CB :: 37.879 CG1 :: 29.934 CG2 :: 17.636 CD1 :: 14.670 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 :: 8.789 HA :: 3.399 HB :: 1.893 HG12 :: 0.699 HG13 :: 1.841 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 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 :: 121.035 Ave N Shift Values>> N :: 121.46(4.28) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.35 G 0.02 C Shift Assignments>> C :: 178.916 CA :: 61.105 CB :: 32.217 CG :: 26.658 CD :: 26.677 CE :: 41.538 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 :: 8.532 HA :: 3.719 HB2 :: 1.865 HB3 :: 1.865 HG2 :: 1.303 HG3 :: 1.745 HD2 :: 1.303 HD3 :: 1.303 HE2 :: 2.828 HE3 :: 2.828 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 :: 117.693 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.16 K 0.04 C Shift Assignments>> C :: 178.090 CA :: 59.771 CB :: 30.008 CG :: 27.410 CD :: 43.469 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 :: 7.747 HA :: 4.001 HB2 :: 1.906 HB3 :: 2.037 HG2 :: 1.534 HG3 :: 1.729 HD2 :: 3.158 HD3 :: 3.275 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.393 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.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 R 0.31 G 0.03 C Shift Assignments>> C :: 177.391 CA :: 58.093 CB :: 42.147 CG :: 26.805 CD1 :: 26.739 CD2 :: 26.739 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 :: 7.838 HA :: 4.053 HB2 :: 1.508 HB3 :: 1.897 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 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 :: 120.027 Ave N Shift Values>> N :: 121.86(3.9) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E104 1.E104 C Shift Assignments>> C :: 177.061 CA :: 66.176 CB :: 38.137 CG1 :: 29.141 CG2 :: 16.766 CD1 :: 14.516 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 :: 8.222 HA :: 3.260 HB :: 1.577 HG12 :: 0.348 HG13 :: 1.673 HG21 :: 0.354 HG22 :: 0.354 HG23 :: 0.354 HD11 :: 0.359 HD12 :: 0.359 HD13 :: 0.359 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.450 Ave N Shift Values>> N :: 121.46(4.28) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.22 G 0.12 C Shift Assignments>> C :: 178.347 CA :: 58.771 CB :: 32.342 CG :: 25.184 CD :: 27.415 CE :: 43.420 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 :: 7.991 HA :: 3.915 HB2 :: 1.918 HB3 :: 1.918 HG2 :: 1.523 HG3 :: 1.523 HD2 :: 1.731 HD3 :: 1.731 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 :: 119.291 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 I 0.24 K 0.06 Q 0.02 C Shift Assignments>> C :: 178.269 CA :: 58.717 CB :: 29.858 CG :: 36.868 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 :: 7.976 HA :: 3.999 HB2 :: 2.107 HB3 :: 2.107 HG2 :: 2.262 HG3 :: 2.483 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 :: 116.229 Ave N Shift Values>> N :: 120.67(3.48) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.730 CA :: 60.813 CB :: 64.490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.414 HA :: 4.445 HB2 :: 3.838 HB3 :: 3.838 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.732 Ave N Shift Values>> N :: 116.28(3.52) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.27 L 0.07 F 0.04 Y 0.03 C Shift Assignments>> CA :: 51.455 CB :: 39.711 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 :: 8.375 HA :: 5.041 HB2 :: 2.760 HB3 :: 2.760 HD21 :: 7.131 HD22 :: 7.666 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 :: 117.209 ND2 :: 112.263 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.946 CA :: 64.523 CB :: 32.181 CG :: 26.867 CD :: 50.770 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.587 HB2 :: 2.463 HB3 :: 2.463 HG2 :: 1.967 HG3 :: 2.139 HD2 :: 3.569 HD3 :: 3.852 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.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.22 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 175.650 CA :: 53.345 CB :: 39.032 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 :: 8.256 HA :: 4.812 HB2 :: 2.823 HB3 :: 2.959 HD21 :: 7.096 HD22 :: 7.654 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 :: 114.674 ND2 :: 114.000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.27 G 0.01 C Shift Assignments>> C :: 175.777 CA :: 55.100 CB :: 32.861 CG :: 24.909 CD :: 28.486 CE :: 42.194 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 :: 7.370 HA :: 4.473 HB2 :: 1.763 HB3 :: 1.763 HG2 :: 1.370 HG3 :: 1.446 HD2 :: 1.816 HD3 :: 1.816 HE2 :: 2.969 HE3 :: 2.969 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 :: 120.036 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 175.575 CA :: 55.747 CB :: 33.793 CG :: 24.978 CD :: 28.790 CE :: 42.222 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 :: 8.956 HA :: 4.534 HB2 :: 1.849 HB3 :: 1.849 HG2 :: 1.438 HG3 :: 1.438 HD2 :: 1.641 HD3 :: 1.641 HE2 :: 2.959 HE3 :: 2.959 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 :: 125.366 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.132 CA :: 60.039 CB :: 71.030 CG2 :: 22.418 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 :: 8.165 HA :: 5.469 HB :: 4.023 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 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 :: 113.988 Ave N Shift Values>> N :: 115.42(4.75) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.639 CA :: 53.978 CB :: 45.233 CG :: 24.524 CD1 :: 26.452 CD2 :: 25.872 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 :: 8.992 HA :: 4.741 HB2 :: 1.604 HB3 :: 1.604 HG :: 0.943 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.929 HD22 :: 0.929 HD23 :: 0.929 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.996 Ave N Shift Values>> N :: 121.86(3.9) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 D 0.22 R 0.21 K 0.06 G 0.05 F 0.04 Y 0.02 N 0.02 HN Overlap>> 1.A14 1.A14 C Shift Assignments>> C :: 175.244 CA :: 53.351 CB :: 43.031 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 :: 8.394 HA :: 5.438 HB2 :: 2.432 HB3 :: 2.592 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.064 Ave N Shift Values>> N :: 120.65(3.86) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.938 CA :: 61.891 CB :: 34.487 CG1 :: 22.020 CG2 :: 22.299 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 :: 9.030 HA :: 4.423 HB :: 2.049 HG11 :: 0.790 HG12 :: 0.790 HG13 :: 0.790 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 121.225 Ave N Shift Values>> N :: 121.14(4.54) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.526 CA :: 61.457 CB :: 71.566 CG2 :: 21.494 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 :: 9.475 HA :: 5.012 HB :: 4.335 HG21 :: 1.308 HG22 :: 1.308 HG23 :: 1.308 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 :: 116.604 Ave N Shift Values>> N :: 115.42(4.75) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.739 CA :: 59.940 CB :: 73.084 CG2 :: 21.497 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 :: 7.693 HA :: 3.847 HB :: 4.605 HG21 :: 1.309 HG22 :: 1.309 HG23 :: 1.309 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 :: 111.039 Ave N Shift Values>> N :: 115.42(4.75) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 E 0.4 K 0.03 C Shift Assignments>> C :: 178.408 CA :: 59.983 CB :: 29.528 CG :: 37.341 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.151 HA :: 3.847 HB2 :: 2.120 HB3 :: 2.120 HG2 :: 2.302 HG3 :: 2.344 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 :: 122.007 Ave N Shift Values>> N :: 120.67(3.48) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 E 0.44 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.596 CA :: 59.796 CB :: 29.086 CG :: 36.888 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 :: 8.626 HA :: 4.117 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.432 HG3 :: 2.432 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 :: 120.139 Ave N Shift Values>> N :: 120.67(3.48) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.23 R 0.14 D 0.13 F 0.12 Y 0.08 C Shift Assignments>> C :: 177.876 CA :: 56.388 CB :: 42.201 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 :: 7.855 HA :: 4.624 HB2 :: 3.124 HB3 :: 3.124 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 :: 119.242 Ave N Shift Values>> N :: 120.65(3.86) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 HN Overlap>> 1.N27 1.N27 C Shift Assignments>> C :: 177.362 CA :: 58.564 CB :: 41.607 CD1 :: 24.605 CD2 :: 24.605 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 :: 7.679 HA :: 3.898 HB2 :: 1.526 HB3 :: 2.143 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.941 HD22 :: 0.941 HD23 :: 0.941 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 :: 119.795 Ave N Shift Values>> N :: 121.86(3.9) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.34 K 0.12 Q 0.06 C Shift Assignments>> C :: 179.170 CA :: 60.046 CB :: 29.118 CG :: 36.008 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 :: 8.158 HA :: 3.940 HB2 :: 2.144 HB3 :: 2.144 HG2 :: 2.348 HG3 :: 2.446 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 :: 117.913 Ave N Shift Values>> N :: 120.67(3.48) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.21 Q 0.17 I 0.13 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> C :: 178.732 CA :: 58.856 CB :: 29.190 CG :: 35.524 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 :: 7.870 HA :: 4.223 HB2 :: 2.165 HB3 :: 2.185 HG2 :: 2.275 HG3 :: 2.457 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 :: 118.920 Ave N Shift Values>> N :: 120.67(3.48) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.902 CA :: 67.372 CB :: 31.585 CG1 :: 21.014 CG2 :: 24.252 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 :: 7.961 HA :: 3.572 HB :: 2.182 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 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 :: 120.187 Ave N Shift Values>> N :: 121.14(4.54) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.04 R 0.01 C Shift Assignments>> C :: 179.200 CA :: 57.811 CB :: 40.794 CG :: 26.773 CD1 :: 21.976 CD2 :: 25.546 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 :: 8.534 HA :: 3.965 HB2 :: 1.401 HB3 :: 1.950 HG :: 1.865 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 118.275 Ave N Shift Values>> N :: 121.86(3.9) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.2 K 0.09 HN Overlap>> 1.R65 1.R65 C Shift Assignments>> C :: 179.114 CA :: 59.818 CB :: 30.243 CG :: 28.270 CD :: 43.546 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 :: 7.726 HA :: 3.997 HB2 :: 1.907 HB3 :: 2.048 HG2 :: 1.585 HG3 :: 1.848 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 :: 118.155 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.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 G 0.12 K 0.05 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> C :: 179.267 CA :: 59.092 CB :: 30.244 CG :: 27.143 CD :: 43.353 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 :: 7.840 HG2 :: 1.408 HG3 :: 1.541 HD2 :: 3.051 HD3 :: 3.280 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 :: 117.956 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.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.631 CA :: 64.109 CB :: 38.355 CG1 :: 27.684 CG2 :: 14.419 CD1 :: 17.338 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 :: 8.207 HA :: 3.981 HB :: 1.970 HG12 :: 1.234 HG13 :: 1.622 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.324 Ave N Shift Values>> N :: 121.46(4.28) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.38 G 0.01 C Shift Assignments>> C :: 177.518 CA :: 58.654 CB :: 32.688 CG :: 26.300 CE :: 42.166 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 :: 7.945 HA :: 4.099 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 1.391 HG3 :: 1.606 HD2 :: 1.681 HD3 :: 1.681 HE2 :: 2.865 HE3 :: 2.919 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 :: 119.933 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> C :: 177.551 CA :: 57.135 CB :: 32.621 CG :: 25.119 CD :: 29.192 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 :: 7.859 HA :: 4.303 HB2 :: 1.935 HB3 :: 1.935 HG2 :: 1.539 HG3 :: 1.539 HD2 :: 1.734 HD3 :: 1.734 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 :: 118.805 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.330 CA :: 45.762 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.091 HA2 :: 3.933 HA3 :: 4.031 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.525 Ave N Shift Values>> N :: 109.67(3.87) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K42 1.K42 C Shift Assignments>> C :: 174.447 CA :: 58.383 CB :: 63.912 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.013 HA :: 4.430 HB2 :: 3.814 HB3 :: 3.814 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.995 Ave N Shift Values>> N :: 116.28(3.52) 1.W101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.284 CA :: 57.785 CB :: 29.693 CD1 :: 127.324 CE3 :: 120.889 CZ2 :: 114.454 CZ3 :: 121.779 CH2 :: 124.312 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 :: 8.138 HA :: 4.708 HB2 :: 3.277 HB3 :: 3.410 HD1 :: 7.272 HE1 :: 10.200 HE3 :: 7.565 HZ2 :: 7.441 HZ3 :: 7.064 HH2 :: 7.137 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 :: 122.661 NE1 :: 129.447 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.531 CA :: 58.537 CB :: 63.944 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.137 HA :: 4.407 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.982 Ave N Shift Values>> N :: 116.28(3.52) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 G 0.02 A 0.01 C Shift Assignments>> C :: 180.200 CA :: 55.593 CB :: 42.305 CD1 :: 23.731 CD2 :: 25.091 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 :: 8.147 HA :: 4.315 HB2 :: 1.633 HB3 :: 1.633 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.951 HD22 :: 0.951 HD23 :: 0.951 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.515 Ave N Shift Values>> N :: 121.86(3.9) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.71 Q 0.12 K 0.11 I 0.04 HN Overlap>> 1.I71 1.I71 C Shift Assignments>> CA :: 56.783 CB :: 30.311 CG :: 36.145 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 :: 8.232 HA :: 4.203 HB2 :: 1.900 HB3 :: 1.900 HG2 :: 2.211 HG3 :: 2.211 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 :: 120.441 Ave N Shift Values>> N :: 120.67(3.48) 1.H105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.081 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) 1.H106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.19 E 0.19 H 0.18 R 0.14 Q 0.12 K 0.06 I 0.03 V 0.02 P 0.02 C Shift Assignments>> CB :: 30.053 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 :: 8.212 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) 1.H109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 106 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 109 #Suspicious: 1 C Shift Results: #Consistent: 465 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 774 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K15 CD = 25.031(S), Expected = 28.96, Std = 1.0800, ChiSquare = 2.7480e-04 1.K17 CD = 25.071(S), Expected = 28.96, Std = 1.0800, ChiSquare = 3.1709e-04 1.R25 HE = 4.932(S), Expected = 7.40, Std = 0.6300, ChiSquare = 8.9487e-05 1.R25 SRO Rule Break>> HE > HA : 0.991111111111111 1.K41 CD = 25.320(S), Expected = 28.96, Std = 1.0800, ChiSquare = 7.5067e-04