Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.MYR1 Overall Status: Residue type MYR not supported. 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.67 A 0.14 N 0.06 G 0.03 C 0.02 D 0.01 C Shift Assignments>> C :: 176.955 CA :: 48.882 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.870 HA2 :: 4.213 HA3 :: 3.807 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.789 Ave N Shift Values>> N :: 109.67(3.87) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Q 0.41 E 0.06 C Shift Assignments>> C :: 178.963 CA :: 59.030 CB :: 28.145 CG :: 33.782 CD :: 180.203 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 :: 9.342 HA :: 3.973 HB2 :: 2.083 HB3 :: 2.080 HG2 :: 2.529 HG3 :: 2.529 HE21 :: 7.815 HE22 :: 6.803 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 :: 122.088 NE2 :: 113.075 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.28 I 0.28 K 0.04 Q 0.01 C Shift Assignments>> C :: 179.643 CA :: 59.784 CB :: 28.978 CG :: 36.666 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 :: 8.545 HA :: 4.064 HB2 :: 2.105 HB3 :: 1.815 HG2 :: 2.394 HG3 :: 2.086 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 :: 119.583 Ave N Shift Values>> N :: 120.67(3.48) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.38 R 0.01 C Shift Assignments>> C :: 178.617 CA :: 58.692 CB :: 41.041 CG :: 26.897 CD1 :: 26.063 CD2 :: 21.850 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 :: 8.305 HA :: 3.999 HB2 :: 1.954 HB3 :: 1.693 HG :: 1.933 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.428 HD22 :: 0.428 HD23 :: 0.428 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 :: 119.585 Ave N Shift Values>> N :: 121.86(3.9) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.607 CA :: 60.724 CB :: 63.430 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.321 HA :: 4.156 HB2 :: 4.167 HB3 :: 4.120 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 :: 109.573 Ave N Shift Values>> N :: 116.28(3.52) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 C 0.4 E 0.1 C Shift Assignments>> C :: 175.271 CA :: 56.158 CB :: 28.746 CG :: 33.784 CD :: 180.351 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 :: 7.232 HA :: 4.262 HB2 :: 2.162 HB3 :: 1.857 HG2 :: 2.463 HG3 :: 2.463 HE21 :: 7.349 HE22 :: 6.853 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 :: 117.807 NE2 :: 112.514 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.16 R 0.12 K 0.12 W 0.11 C 0.11 E 0.1 M 0.05 L 0.01 HN Overlap>> 1.I109 1.I109 C Shift Assignments>> C :: 174.797 CA :: 54.626 CB :: 29.462 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 :: 7.703 HA :: 4.756 HB2 :: 3.539 HB3 :: 3.538 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 :: 119.672 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 I 0.26 E 0.25 K 0.03 Q 0.01 C Shift Assignments>> C :: 178.812 CA :: 60.847 CB :: 29.631 CG :: 36.272 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 :: 8.942 HA :: 4.019 HB2 :: 2.130 HB3 :: 2.126 HG2 :: 2.403 HG3 :: 2.331 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 :: 126.354 Ave N Shift Values>> N :: 120.67(3.48) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.45 G 0.06 C Shift Assignments>> C :: 179.056 CA :: 58.984 CB :: 29.522 CG :: 27.557 CD :: 43.312 CZ :: 159.634 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 :: 8.954 HA :: 4.198 HB2 :: 2.023 HB3 :: 1.995 HG2 :: 1.820 HG3 :: 1.742 HD2 :: 3.275 HD3 :: 3.275 HE :: 7.341 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 :: 119.229 NE :: 84.823 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.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 176.781 CA :: 61.403 CB :: 38.212 CD1 :: 132.754 CD2 :: 132.754 CE1 :: 118.639 CE2 :: 118.639 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 :: 7.588 HA :: 4.304 HB2 :: 3.375 HB3 :: 3.186 HD1 :: 7.026 HD2 :: 7.026 HE1 :: 6.788 HE2 :: 6.788 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 :: 121.364 Ave N Shift Values>> N :: 120.52(4.2) 1.V12 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 :: 177.596 CA :: 67.532 CB :: 31.526 CG1 :: 21.457 CG2 :: 23.560 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 :: 8.209 HA :: 3.248 HB :: 2.240 HG11 :: 0.814 HG12 :: 0.814 HG13 :: 0.814 HG21 :: 1.303 HG22 :: 1.303 HG23 :: 1.303 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 :: 119.190 Ave N Shift Values>> N :: 121.14(4.54) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.14 K 0.11 Q 0.07 M 0.01 C Shift Assignments>> C :: 178.846 CA :: 59.297 CB :: 29.052 CG :: 35.779 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 :: 7.474 HA :: 3.892 HB2 :: 2.059 HB3 :: 2.059 HG2 :: 2.320 HG3 :: 2.320 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 :: 116.968 Ave N Shift Values>> N :: 120.67(3.48) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Q 0.44 E 0.06 C Shift Assignments>> C :: 179.064 CA :: 58.452 CB :: 28.702 CG :: 34.080 CD :: 179.139 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 :: 7.842 HA :: 3.980 HB2 :: 2.057 HB3 :: 2.057 HG2 :: 2.247 HG3 :: 2.205 HE21 :: 7.205 HE22 :: 7.172 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 :: 120.468 NE2 :: 112.967 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.48 C Shift Assignments>> C :: 178.603 CA :: 58.031 CB :: 40.747 CG :: 27.324 CD1 :: 25.367 CD2 :: 22.558 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 :: 8.951 HA :: 3.894 HB2 :: 1.785 HB3 :: 0.987 HG :: 1.587 HD11 :: 1.186 HD12 :: 1.186 HD13 :: 1.186 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 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 :: 123.256 Ave N Shift Values>> N :: 121.86(3.9) 1.K16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 K 0.16 R 0.09 HN Overlap>> 1.C42 1.C42 C Shift Assignments>> C :: 180.159 CA :: 61.119 CB :: 32.539 CG :: 26.985 CD :: 29.787 CE :: 41.372 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.408 HA :: 3.783 HB2 :: 1.770 HB3 :: 1.652 HG2 :: 1.114 HG3 :: 0.784 HD2 :: 1.306 HD3 :: 1.198 HE2 :: 2.128(S) HE3 :: 1.861(S) 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 :: 118.324 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Q 0.44 E 0.04 C Shift Assignments>> C :: 178.666 CA :: 58.719 CB :: 27.988 CG :: 33.681 CD :: 179.623 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 :: 7.983 HA :: 4.012 HB2 :: 2.163 HB3 :: 2.088 HG2 :: 2.433 HG3 :: 2.433 HE21 :: 7.283 HE22 :: 6.571 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 :: 118.357 NE2 :: 112.208 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 179.560 CA :: 55.262 CB :: 17.790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.168 HA :: 3.882 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.560 Ave N Shift Values>> N :: 123.23(3.54) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 L 0.18 A 0.02 C Shift Assignments>> C :: 179.367 CA :: 58.180 CB :: 40.804 CG :: 25.983 CD1 :: 21.331 CD2 :: 25.990 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 :: 8.312 HA :: 3.566 HB2 :: 1.744 HB3 :: 1.266 HG :: 1.164 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 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 :: 117.435 Ave N Shift Values>> N :: 121.86(3.9) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.13 V 0.12 W 0.11 R 0.09 M 0.08 H 0.07 E 0.07 Q 0.04 HN Overlap>> 1.R22 1.R22 C Shift Assignments>> C :: 180.360 CA :: 59.320 CB :: 32.189 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 :: 7.323 HA :: 4.190 HB2 :: 1.944 HB3 :: 1.944 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 :: 118.338 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.742 CA :: 65.132 CB :: 69.307 CG2 :: 21.764 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 :: 7.970 HA :: 4.167 HB :: 4.293 HG21 :: 1.419 HG22 :: 1.419 HG23 :: 1.419 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 :: 112.237 Ave N Shift Values>> N :: 115.42(4.75) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.43 G 0.01 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> C :: 176.500 CA :: 54.330 CB :: 29.772 CG :: 26.350 CD :: 41.935 CZ :: 159.817 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 :: 7.291 HA :: 4.424 HB2 :: 2.135 HB3 :: 1.772 HG2 :: 1.670 HG3 :: 1.628 HD2 :: 3.238 HD3 :: 3.056 HE :: 7.565 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 :: 118.412 NE :: 82.883 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.G23 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 C Shift Assignments>> C :: 174.299 CA :: 46.364 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.924 HA2 :: 3.984 HA3 :: 3.866 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.362 Ave N Shift Values>> N :: 109.67(3.87) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.L89 1.L89 1.V75 1.V75 C Shift Assignments>> C :: 175.623 CA :: 61.842 CB :: 32.806 CG1 :: 21.965 CG2 :: 20.961 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 :: 7.514 HA :: 4.050 HB :: 1.945 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 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 :: 118.035 Ave N Shift Values>> N :: 121.14(4.54) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.36 R 0.14 C Shift Assignments>> C :: 175.546 CA :: 55.726 CB :: 32.544 CG :: 24.706 CD :: 29.104 CE :: 42.193 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 :: 8.722 HA :: 4.490 HB2 :: 1.817 HB3 :: 1.706 HG2 :: 1.424 HG3 :: 1.336 HD2 :: 1.672 HD3 :: 1.672 HE2 :: 2.996 HE3 :: 2.996 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 :: 128.361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.46 C Shift Assignments>> C :: 174.605 CA :: 60.009 CB :: 34.463 CG1 :: 20.747 CG2 :: 21.424 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 :: 7.855 HA :: 4.364 HB :: 2.019 HG11 :: 0.835 HG12 :: 0.835 HG13 :: 0.835 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 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 :: 120.059 Ave N Shift Values>> N :: 121.14(4.54) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.35 R 0.17 C Shift Assignments>> C :: 177.533 CA :: 55.799 CB :: 31.631 CG :: 25.148 CD :: 29.131 CE :: 42.197 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 :: 8.748 HA :: 4.494 HB2 :: 1.928 HB3 :: 1.868 HG2 :: 1.591 HG3 :: 1.425 HD2 :: 1.775 HD3 :: 1.775 HE2 :: 3.049 HE3 :: 3.049 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 :: 126.247 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.34 C 0.29 C Shift Assignments>> C :: 176.848 CA :: 63.614 CB :: 39.055 CZ :: 128.981 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 :: 9.109 HA :: 3.791 HB2 :: 3.292 HB3 :: 3.047 HD1 :: 7.164 HD2 :: 7.164 HE1 :: 7.164 HE2 :: 7.164 HZ :: 7.105 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 :: 131.752 Ave N Shift Values>> N :: 120.45(4.18) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.44 C 0.03 I 0.03 C Shift Assignments>> C :: 180.507 CA :: 55.260 CB :: 18.576 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.934 HA :: 3.914 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.631 Ave N Shift Values>> N :: 123.23(3.54) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 D 0.16 L 0.14 C 0.1 K 0.04 N 0.04 I 0.03 C Shift Assignments>> C :: 178.683 CA :: 56.725 CB :: 40.365 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 :: 7.070 HA :: 4.410 HB2 :: 2.827 HB3 :: 2.767 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 :: 117.326 Ave N Shift Values>> N :: 120.65(3.86) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.46 C Shift Assignments>> C :: 177.717 CA :: 57.200 CB :: 40.706 CG :: 25.628 CD1 :: 23.750 CD2 :: 26.259 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 :: 7.502 HA :: 3.409 HB2 :: 1.446 HB3 :: 0.901 HG :: 0.630 HD11 :: 0.531 HD12 :: 0.531 HD13 :: 0.531 HD21 :: 0.535 HD22 :: 0.535 HD23 :: 0.535 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 :: 124.087 Ave N Shift Values>> N :: 121.86(3.9) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.41 R 0.01 HN Overlap>> 1.K74 1.S81 1.K74 1.S81 C Shift Assignments>> C :: 179.010 CA :: 58.160 CB :: 41.078 CG :: 26.785 CD1 :: 22.760 CD2 :: 25.957 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 :: 7.663 HA :: 3.825 HB2 :: 1.980 HB3 :: 1.509 HG :: 1.911 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 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 :: 116.790 Ave N Shift Values>> N :: 121.86(3.9) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.1 HN Overlap>> 1.A101 1.A101 C Shift Assignments>> C :: 180.063 CA :: 59.291 CB :: 32.022 CG :: 25.201 CD :: 29.187 CE :: 42.178 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 :: 7.915 HA :: 4.245 HB2 :: 1.940 HB3 :: 1.939 HG2 :: 1.687 HG3 :: 1.522 HD2 :: 1.763 HD3 :: 1.763 HE2 :: 3.012 HE3 :: 3.012 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 :: 119.417 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.43 F 0.05 C Shift Assignments>> C :: 177.262 CA :: 60.645 CB :: 37.524 CE1 :: 131.312 CE2 :: 131.312 CZ :: 125.504 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 :: 7.770 HA :: 4.517 HB2 :: 3.122 HB3 :: 2.945 HD1 :: 7.348 HD2 :: 7.348 HE1 :: 7.702 HE2 :: 7.702 HZ :: 7.571 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 :: 123.107 Ave N Shift Values>> N :: 120.45(4.18) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 F 0.06 Y 0.03 W 0.01 HN Overlap>> 1.D91 1.D91 C Shift Assignments>> C :: 178.704 CA :: 57.755 CB :: 35.856 CD1 :: 130.048 CD2 :: 130.048 CE1 :: 128.455 CE2 :: 128.455 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 :: 8.412 HA :: 4.323 HB2 :: 3.563 HB3 :: 3.155 HD1 :: 7.063 HD2 :: 7.063 HE1 :: 6.960 HE2 :: 6.960 HZ :: 7.181 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 :: 120.402 Ave N Shift Values>> N :: 120.45(4.18) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.13 L 0.05 D 0.04 K 0.01 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> C :: 177.252 CA :: 58.639 CB :: 40.036 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 :: 8.187 HA :: 4.610 HB2 :: 3.118 HB3 :: 2.865 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 :: 120.257 Ave N Shift Values>> N :: 120.65(3.86) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 179.003 CA :: 61.602 CB :: 38.634 CD1 :: 131.723 CD2 :: 131.723 CE1 :: 131.257 CE2 :: 131.257 CZ :: 129.810 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 :: 8.003 HA :: 4.419 HB2 :: 3.523 HB3 :: 3.274 HD1 :: 7.061 HD2 :: 7.061 HE1 :: 6.652 HE2 :: 6.652 HZ :: 7.041 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 :: 123.073 Ave N Shift Values>> N :: 120.45(4.18) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 HN Overlap>> 1.A104 1.A104 C Shift Assignments>> C :: 176.353 CA :: 67.535 CB :: 30.952 CG1 :: 24.156 CG2 :: 21.371 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 :: 8.521 HA :: 3.132 HB :: 2.372 HG11 :: 0.751 HG12 :: 0.751 HG13 :: 0.751 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 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 :: 122.509 Ave N Shift Values>> N :: 121.14(4.54) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.41 R 0.09 G 0.01 C Shift Assignments>> C :: 176.554 CA :: 59.863 CB :: 32.065 CG :: 25.023 CD :: 29.714 CE :: 42.261 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 :: 7.592 HA :: 3.521 HB2 :: 2.204 HB3 :: 1.596 HG2 :: 1.419 HG3 :: 1.419 HD2 :: 1.753 HD3 :: 1.612 HE2 :: 2.993 HE3 :: 2.993 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 :: 118.807 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.18 F 0.18 Y 0.14 D 0.13 C 0.07 R 0.03 I 0.02 N 0.01 C Shift Assignments>> C :: 177.997 CA :: 56.901 CB :: 41.373 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 :: 8.118 HA :: 4.274 HB2 :: 2.554 HB3 :: 2.554 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 :: 116.175 Ave N Shift Values>> N :: 120.65(3.86) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.123 CA :: 65.019 CB :: 69.669 CG2 :: 21.905 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 :: 7.777 HA :: 3.881 HB :: 3.686 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 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 :: 112.353 Ave N Shift Values>> N :: 115.42(4.75) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.14 H 0.12 R 0.12 C 0.11 W 0.1 E 0.08 L 0.08 M 0.02 I 0.01 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 171.873 CA :: 55.515 CB :: 28.281 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.385 HA :: 4.651 HB2 :: 2.492 HB3 :: 1.721 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 :: 118.339 Ave N Shift Values>> N :: 120.17(4.64) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 176.900 CA :: 65.604 CB :: 31.162 CG :: 27.585 CD :: 50.224 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 :: 4.376 HB2 :: 2.492 HB3 :: 2.035 HG2 :: 2.161 HG3 :: 2.161 HD2 :: 3.717 HD3 :: 3.341 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) N Shift Assignments>> N :: 139.623 Ave N Shift Values>> N :: 134.16(6.62) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.4 C Shift Assignments>> C :: 177.119 CA :: 55.795 CB :: 28.087 CD1 :: 127.528 CE2 :: 138.990 CE3 :: 121.920 CZ2 :: 114.223 CZ3 :: 122.020 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 :: 6.678 HA :: 4.432 HB2 :: 3.602 HB3 :: 3.263 HD1 :: 7.577 HE1 :: 10.358 HE3 :: 7.262 HZ2 :: 7.360 HZ3 :: 7.497 HH2 :: 7.224 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 :: 113.856 NE1 :: 129.478 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.96 W 0.02 C Shift Assignments>> C :: 175.450 CA :: 63.015 CB :: 35.180 CD1 :: 128.891 CD2 :: 128.891 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 :: 7.349 HA :: 4.107 HB2 :: 2.599 HB3 :: 1.233(S) HD1 :: 6.842 HD2 :: 6.842 HE1 :: 7.205 HE2 :: 7.205 HZ :: 7.205 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 :: 122.873 Ave N Shift Values>> N :: 120.45(4.18) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.689 CA :: 64.927 CB :: 30.571 CG :: 28.130 CD :: 49.684 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 :: 4.058 HB2 :: 2.153 HB3 :: 2.025 HG2 :: 2.196 HG3 :: 1.672 HD2 :: 4.298 HD3 :: 3.413 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) N Shift Assignments>> N :: 134.790 Ave N Shift Values>> N :: 134.16(6.62) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Q 0.45 E 0.04 C Shift Assignments>> C :: 177.484 CA :: 58.465 CB :: 28.598 CG :: 33.491 CD :: 179.905 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 :: 6.594 HA :: 3.975 HB2 :: 2.141 HB3 :: 2.141 HG2 :: 2.449 HG3 :: 2.449 HE21 :: 7.446 HE22 :: 6.859 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 :: 114.417 NE2 :: 111.386 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.33 I 0.19 K 0.03 M 0.01 HN Overlap>> 1.E108 1.E108 C Shift Assignments>> C :: 179.379 CA :: 58.386 CB :: 29.429 CG :: 37.329 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 :: 7.785 HA :: 4.149 HB2 :: 2.241 HB3 :: 2.169 HG2 :: 2.751 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 :: 117.320 Ave N Shift Values>> N :: 120.67(3.48) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 171.171 CA :: 47.467 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.331 HA2 :: 3.593 HA3 :: 3.213 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.403 Ave N Shift Values>> N :: 109.67(3.87) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.219 CA :: 61.972 CB :: 71.070 CG2 :: 21.799 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 :: 7.650 HA :: 4.320 HB :: 3.558 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 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 :: 114.054 Ave N Shift Values>> N :: 115.42(4.75) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.44 C Shift Assignments>> C :: 172.793 CA :: 59.427 CB :: 35.803 CG1 :: 26.705 CG2 :: 18.020 CD1 :: 12.638 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 :: 10.085 HA :: 4.186 HB :: 2.069 HG12 :: 1.272 HG13 :: 1.234 HG21 :: 0.685 HG22 :: 0.685 HG23 :: 0.685 HD11 :: 0.659 HD12 :: 0.659 HD13 :: 0.659 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 :: 128.547 Ave N Shift Values>> N :: 121.46(4.28) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.26 R 0.15 G 0.07 K 0.05 C 0.04 N 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 175.978 CA :: 52.103 CB :: 42.843 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 :: 7.218 HA :: 4.649 HB2 :: 3.159 HB3 :: 2.762 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 :: 121.707 Ave N Shift Values>> N :: 120.65(3.86) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 177.158 CA :: 62.212 CB :: 38.148 CG1 :: 28.632 CG2 :: 18.333 CD1 :: 13.682 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 :: 8.835 HA :: 4.209 HB :: 1.993 HG12 :: 1.623 HG13 :: 1.623 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 HD11 :: 1.038 HD12 :: 1.038 HD13 :: 1.038 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 :: 119.502 Ave N Shift Values>> N :: 121.46(4.28) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.4 R 0.09 C Shift Assignments>> C :: 180.696 CA :: 60.235 CB :: 32.018 CG :: 25.393 CD :: 29.498 CE :: 42.122 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 :: 8.156 HA :: 4.166 HB2 :: 2.053 HB3 :: 1.949 HG2 :: 1.592 HG3 :: 1.468 HD2 :: 1.771 HD3 :: 1.771 HE2 :: 3.047 HE3 :: 3.047 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.623 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.42 G 0.09 C Shift Assignments>> C :: 179.321 CA :: 60.040 CB :: 30.301 CD :: 43.448 CZ :: 159.652 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 :: 9.266 HA :: 4.398 HD2 :: 3.288 HD3 :: 3.242 HE :: 7.911 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 :: 120.428 NE :: 85.576 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.W56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> C :: 180.181 CA :: 59.509 CB :: 30.414 CD1 :: 125.130 CE2 :: 139.219 CE3 :: 120.795 CZ2 :: 113.708 CZ3 :: 121.016 CH2 :: 122.723 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 :: 8.956 HA :: 4.795 HB2 :: 3.382 HB3 :: 3.382 HD1 :: 6.010 HE1 :: 8.656 HE3 :: 7.025 HZ2 :: 7.481 HZ3 :: 6.211 HH2 :: 7.126 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 :: 120.688 NE1 :: 126.367 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.38 G 0.13 C Shift Assignments>> C :: 178.280 CA :: 60.472 CB :: 29.976 CG :: 28.201 CD :: 43.676 CZ :: 159.698 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 :: 9.289 HA :: 4.472 HB2 :: 2.245 HB3 :: 2.245 HG2 :: 2.065 HG3 :: 1.962 HD2 :: 3.402 HD3 :: 3.327 HE :: 7.439 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 :: 122.255 NE :: 85.886 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.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.41 G 0.12 C Shift Assignments>> C :: 179.662 CA :: 59.993 CB :: 30.082 CG :: 27.588 CD :: 43.727 CZ :: 158.985 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 :: 7.675 HA :: 4.276 HB2 :: 2.252 HB3 :: 2.252 HG2 :: 1.910 HG3 :: 1.652 HD2 :: 3.038 HD3 :: 2.791 HE :: 6.717 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 :: 120.698 NE :: 83.514 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.V59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.754 CA :: 66.262 CB :: 31.199 CG1 :: 20.789 CG2 :: 22.988 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 :: 7.858 HA :: 3.714 HB :: 1.545 HG11 :: -0.360(S) HG12 :: -0.360(S) HG13 :: -0.360(S) HG21 :: 0.477 HG22 :: 0.477 HG23 :: 0.477 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 :: 121.812 Ave N Shift Values>> N :: 121.14(4.54) 1.G60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 176.105 CA :: 46.319 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.587 HA2 :: 2.297(S) HA3 :: 2.622(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.437 Ave N Shift Values>> N :: 109.67(3.87) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.1 I 0.06 N 0.03 K 0.02 C Shift Assignments>> C :: 178.731 CA :: 57.232 CB :: 40.043 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 :: 8.277 HA :: 4.302 HB2 :: 2.811 HB3 :: 2.757 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 :: 123.067 Ave N Shift Values>> N :: 120.65(3.86) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.4 I 0.39 C 0.14 R 0.01 W 0.01 C Shift Assignments>> C :: 177.297 CA :: 62.596 CB :: 26.464 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.881 HA :: 4.260 HB2 :: 3.201 HB3 :: 2.904 HG :: 1.947 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 :: 121.045 Ave N Shift Values>> N :: 120.17(4.64) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 F 0.01 C Shift Assignments>> C :: 178.320 CA :: 57.901 CB :: 36.930 CD1 :: 128.703 CD2 :: 128.703 CE1 :: 131.151 CE2 :: 131.151 CZ :: 127.920 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 :: 8.528 HA :: 4.454 HB2 :: 2.866 HB3 :: 3.449 HD1 :: 6.714 HD2 :: 6.714 HE1 :: 7.241 HE2 :: 7.241 HZ :: 7.002 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 :: 118.817 Ave N Shift Values>> N :: 120.45(4.18) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Q 0.42 E 0.03 C Shift Assignments>> C :: 177.840 CA :: 59.506 CB :: 28.559 CG :: 33.382 CD :: 179.738 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.310 HA :: 4.242 HB2 :: 2.274 HB3 :: 2.274 HG2 :: 2.449 HG3 :: 2.449 HE21 :: 7.472 HE22 :: 6.819 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 :: 118.805 NE2 :: 112.073 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.18 K 0.17 L 0.14 C 0.09 D 0.08 I 0.04 R 0.01 HN Overlap>> 1.D36 1.D36 C Shift Assignments>> C :: 179.488 CA :: 57.735 CB :: 41.170 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 :: 8.283 HA :: 4.571 HB2 :: 2.868 HB3 :: 2.868 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 :: 120.231 Ave N Shift Values>> N :: 120.65(3.86) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 178.761 CA :: 60.315 CB :: 38.132 CD1 :: 131.753 CD2 :: 131.753 CE1 :: 118.698 CE2 :: 118.698 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 :: 8.967 HA :: 4.669 HB2 :: 3.441 HB3 :: 3.173 HD1 :: 7.173 HD2 :: 7.173 HE1 :: 6.934 HE2 :: 6.934 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 :: 120.502 Ave N Shift Values>> N :: 120.52(4.2) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 F 0.19 Y 0.17 C 0.14 C Shift Assignments>> C :: 178.296 CA :: 62.000 CB :: 40.093 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 :: 9.191 HA :: 4.191 HB2 :: 3.419 HB3 :: 3.519 HD1 :: 7.464 HD2 :: 7.464 HE1 :: 7.366 HE2 :: 7.366 HZ :: 7.366 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 :: 122.616 Ave N Shift Values>> N :: 120.45(4.18) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.34 D 0.11 C Shift Assignments>> C :: 176.802 CA :: 55.664 CB :: 38.217 CG :: 176.459 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 :: 8.856 HA :: 4.426 HB2 :: 3.158 HB3 :: 2.953 HD21 :: 7.811 HD22 :: 7.041 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 :: 118.741 ND2 :: 111.736 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.010 CA :: 65.499 CB :: 69.686 CG2 :: 20.850 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 :: 7.971 HA :: 3.943 HB :: 3.669 HG21 :: 0.382(S) HG22 :: 0.382(S) HG23 :: 0.382(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 :: 114.120 Ave N Shift Values>> N :: 115.42(4.75) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.2 K 0.18 C 0.1 L 0.09 I 0.07 D 0.04 R 0.02 C Shift Assignments>> C :: 176.687 CA :: 58.726 CB :: 41.330 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 :: 8.614 HA :: 4.687 HB2 :: 3.245 HB3 :: 2.773 HD1 :: 7.255 HD2 :: 7.255 HE1 :: 7.247 HE2 :: 7.247 HZ :: 7.309 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 :: 118.058 Ave N Shift Values>> N :: 120.45(4.18) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.301 CA :: 45.083 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.963 HA2 :: 4.315 HA3 :: 3.470 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.257 Ave N Shift Values>> N :: 109.67(3.87) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.856 CA :: 63.666 CB :: 32.253 CG :: 27.131 CD :: 50.276 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 :: 4.815 HB2 :: 2.489 HB3 :: 2.123 HG2 :: 2.100 HG3 :: 2.100 HD2 :: 3.814 HD3 :: 3.320 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) N Shift Assignments>> N :: 131.854 Ave N Shift Values>> N :: 134.16(6.62) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.16 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.360 CA :: 58.568 CB :: 29.292 CG :: 36.749 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 :: 8.621 HA :: 4.106 HB2 :: 2.040 HB3 :: 2.037 HG2 :: 2.311 HG3 :: 2.311 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 :: 117.487 Ave N Shift Values>> N :: 120.67(3.48) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.39 R 0.08 HN Overlap>> 1.K92 1.K92 1.L32 1.L32 C Shift Assignments>> C :: 175.864 CA :: 55.576 CB :: 34.425 CG :: 25.236 CD :: 28.278 CE :: 41.846 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 :: 7.571 HA :: 4.464 HB2 :: 1.664 HB3 :: 2.017 HG2 :: 1.353 HG3 :: 1.277 HD2 :: 1.550 HD3 :: 1.364 HE2 :: 2.485 HE3 :: 2.418 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 :: 116.812 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 HN Overlap>> 1.L89 1.V24 1.L89 1.V24 C Shift Assignments>> C :: 171.389 CA :: 58.693 CB :: 33.972 CG1 :: 21.575 CG2 :: 21.332 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 :: 7.445 HA :: 4.507 HB :: 2.302 HG11 :: 1.199 HG12 :: 1.199 HG13 :: 1.199 HG21 :: 0.577 HG22 :: 0.577 HG23 :: 0.577 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 :: 118.046 Ave N Shift Values>> N :: 121.14(4.54) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 178.780 CA :: 62.230 CB :: 32.352 CG :: 27.156 CD :: 50.427 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 :: 4.620 HB2 :: 1.816 HB3 :: 2.280 HG2 :: 1.768 HG3 :: 1.584 HD2 :: 2.821 HD3 :: 3.327 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) N Shift Assignments>> N :: 135.967 Ave N Shift Values>> N :: 134.16(6.62) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.529 CA :: 65.642 CB :: 31.632 CG1 :: 21.153 CG2 :: 21.153 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 :: 8.641 HA :: 3.954 HB :: 2.258 HG11 :: 1.105 HG12 :: 1.105 HG13 :: 1.105 HG21 :: 1.105 HG22 :: 1.105 HG23 :: 1.105 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 :: 119.399 Ave N Shift Values>> N :: 121.14(4.54) 1.T78 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 :: 175.989 CA :: 63.119 CB :: 68.445 CG2 :: 22.310 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 :: 7.404 HA :: 3.983 HB :: 4.044 HG21 :: 1.225 HG22 :: 1.225 HG23 :: 1.225 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 :: 109.224 Ave N Shift Values>> N :: 115.42(4.75) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.04 C 0.02 C Shift Assignments>> C :: 179.771 CA :: 55.227 CB :: 17.624 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.899 HA :: 4.093 HB1 :: 0.840 HB2 :: 0.840 HB3 :: 0.840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.937 Ave N Shift Values>> N :: 123.23(3.54) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.18 Y 0.14 F 0.12 E 0.01 C Shift Assignments>> C :: 178.732 CA :: 61.938 CB :: 38.183 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 :: 7.302 HA :: 4.462 HB2 :: 3.317 HB3 :: 3.000 HD1 :: 7.265 HD2 :: 7.265 HE1 :: 6.833 HE2 :: 6.833 HZ :: 6.833 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 :: 114.087 Ave N Shift Values>> N :: 120.45(4.18) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 178.506 CA :: 61.488 CB :: 62.097 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.699 HA :: 4.429 HB2 :: 3.803 HB3 :: 3.803 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 :: 116.743 Ave N Shift Values>> N :: 116.28(3.52) 1.Y82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.75 Y 0.23 C Shift Assignments>> C :: 177.882 CA :: 60.792 CB :: 34.438 CD1 :: 132.059 CD2 :: 132.059 CE1 :: 117.445 CE2 :: 117.445 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 :: 8.127 HA :: 4.153 HB2 :: 1.619(S) HB3 :: 1.619 HD1 :: 6.735 HD2 :: 6.735 HE1 :: 6.582 HE2 :: 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 :: 121.760 Ave N Shift Values>> N :: 120.52(4.2) 1.W83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 179.630 CA :: 64.122 CB :: 28.686 CD1 :: 125.864 CE2 :: 138.365 CE3 :: 125.008 CZ2 :: 113.558 CZ3 :: 121.184 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 :: 8.672 HA :: 4.489 HB2 :: 3.684 HB3 :: 3.962 HD1 :: 5.831(S) HE1 :: 8.086 HE3 :: 7.340 HZ2 :: 7.136 HZ3 :: 7.839 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 :: 120.708 NE1 :: 127.207 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 N 0.28 D 0.17 C Shift Assignments>> C :: 176.278 CA :: 57.101 CB :: 39.501 CG :: 176.046 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 :: 8.408 HA :: 4.287 HB2 :: 3.131 HB3 :: 2.963 HD21 :: 7.687 HD22 :: 7.201 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 :: 119.277 ND2 :: 113.901 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.44 R 0.05 C Shift Assignments>> C :: 178.626 CA :: 58.554 CB :: 42.095 CG :: 27.342 CD1 :: 24.887 CD2 :: 25.267 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 :: 7.782 HA :: 4.109 HB2 :: 1.930 HB3 :: 1.794 HG :: 1.623 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 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 :: 121.953 Ave N Shift Values>> N :: 121.86(3.9) 1.I86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.91 I 0.07 C Shift Assignments>> C :: 177.103 CA :: 61.439 CB :: 34.696 CG1 :: 27.833 CG2 :: 16.644 CD1 :: 9.049 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 :: 8.000 HA :: 3.543 HB :: 2.021 HG12 :: 2.084 HG13 :: 1.455 HG21 :: -0.427(S) HG22 :: -0.427(S) HG23 :: -0.427(S) HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 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 :: 116.732 Ave N Shift Values>> N :: 121.46(4.28) 1.K87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 K 0.38 R 0.08 G 0.01 C Shift Assignments>> C :: 177.387 CA :: 60.384 CB :: 31.381 CG :: 24.190 CD :: 29.396 CE :: 42.174 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 :: 3.274 HB2 :: 1.845 HB3 :: 0.828(S) HG2 :: 1.423 HG3 :: 1.286 HD2 :: 1.769 HD3 :: 1.620 HE2 :: 3.048 HE3 :: 3.048 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 :: 122.044 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.17 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.026 CA :: 58.984 CB :: 29.325 CG :: 36.523 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 :: 7.756 HA :: 4.002 HB2 :: 2.172 HB3 :: 2.027 HG2 :: 2.506 HG3 :: 2.279 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 :: 116.248 Ave N Shift Values>> N :: 120.67(3.48) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.04 HN Overlap>> 1.V24 1.V75 1.V24 1.V75 C Shift Assignments>> C :: 178.266 CA :: 58.001 CB :: 41.923 CG :: 26.559 CD1 :: 25.806 CD2 :: 23.888 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 :: 7.425 HA :: 3.976 HB2 :: 1.818 HB3 :: 1.277 HG :: 1.779 HD11 :: 0.715 HD12 :: 0.715 HD13 :: 0.715 HD21 :: 0.680 HD22 :: 0.680 HD23 :: 0.680 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 :: 118.055 Ave N Shift Values>> N :: 121.86(3.9) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.831 CA :: 65.559 CB :: 37.854 CG1 :: 28.298 CG2 :: 17.549 CD1 :: 13.557 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 :: 8.183 HA :: 3.374 HB :: 1.664 HG12 :: 1.388 HG13 :: 0.490 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 HD11 :: 0.072 HD12 :: 0.072 HD13 :: 0.072 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 :: 116.047 Ave N Shift Values>> N :: 121.46(4.28) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.19 F 0.17 D 0.15 Y 0.13 C 0.07 R 0.03 N 0.01 I 0.01 HN Overlap>> 1.F35 1.F35 C Shift Assignments>> C :: 177.724 CA :: 56.613 CB :: 41.379 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 :: 8.424 HA :: 4.487 HB2 :: 2.852 HB3 :: 2.651 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 :: 120.507 Ave N Shift Values>> N :: 120.65(3.86) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.28 R 0.25 G 0.01 HN Overlap>> 1.K74 1.K74 C Shift Assignments>> C :: 177.816 CA :: 54.684 CB :: 32.283 CG :: 24.787 CD :: 28.500 CE :: 42.461 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 :: 7.555 HA :: 4.565 HB2 :: 1.844 HB3 :: 2.124 HG2 :: 1.571 HG3 :: 1.509 HD2 :: 1.689 HD3 :: 1.600 HE2 :: 3.031 HE3 :: 3.031 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 :: 116.845 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 K 0.31 R 0.05 G 0.01 HN Overlap>> 1.N96 1.N96 C Shift Assignments>> C :: 175.607 CA :: 59.907 CB :: 32.715 CG :: 24.426 CD :: 30.675 CE :: 42.212 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 :: 7.684 HA :: 3.944 HB2 :: 1.877 HB3 :: 1.877 HG2 :: 1.775 HG3 :: 1.387 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 3.175 HE3 :: 3.129 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 :: 120.351 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 I 0.14 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 177.577 CA :: 57.761 CB :: 29.230 CG :: 37.070 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 :: 8.284 HA :: 4.310 HB2 :: 2.156 HB3 :: 1.967 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 :: 114.630 Ave N Shift Values>> N :: 120.67(3.48) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.156 CA :: 61.590 CB :: 32.871 CG1 :: 19.785 CG2 :: 21.263 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 :: 7.462 HA :: 4.407 HB :: 2.353 HG11 :: 0.986 HG12 :: 0.986 HG13 :: 0.986 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 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 :: 111.973 Ave N Shift Values>> N :: 121.14(4.54) 1.N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.27 C 0.06 HN Overlap>> 1.K93 1.K93 C Shift Assignments>> C :: 173.142 CA :: 50.787 CB :: 40.833 CG :: 176.538 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 :: 7.684 HA :: 5.348 HB2 :: 2.782 HB3 :: 2.832 HD21 :: 7.898 HD22 :: 7.209 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 :: 120.325 ND2 :: 114.203 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 179.299 CA :: 65.165 CB :: 32.462 CG :: 27.352 CD :: 51.401 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 :: 4.382 HB2 :: 1.999 HB3 :: 2.439 HG2 :: 2.149 HG3 :: 2.089 HD2 :: 3.952 HD3 :: 3.952 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) N Shift Assignments>> N :: 137.580 Ave N Shift Values>> N :: 134.16(6.62) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Q 0.41 E 0.03 C Shift Assignments>> C :: 179.491 CA :: 58.908 CB :: 27.568 CG :: 33.902 CD :: 179.250 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.408 HA :: 4.209 HB2 :: 2.237 HB3 :: 1.909 HG2 :: 2.456 HG3 :: 2.456 HE21 :: 7.533 HE22 :: 6.865 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 :: 111.946 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V99 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 :: 177.530 CA :: 66.771 CB :: 31.713 CG1 :: 22.947 CG2 :: 22.157 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 :: 7.974 HA :: 3.487 HB :: 2.194 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 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 :: 121.220 Ave N Shift Values>> N :: 121.14(4.54) 1.M100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.39 C Shift Assignments>> C :: 178.471 CA :: 59.520 CB :: 32.042 CG :: 32.290 CE :: 17.687 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 :: 8.353 HA :: 4.016 HB2 :: 2.638 HB3 :: 2.560 HG2 :: 2.134 HG3 :: 2.134 HE1 :: 2.118 HE2 :: 2.118 HE3 :: 2.118 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 :: 119.723 Ave N Shift Values>> N :: 120.09(3.57) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.38 I 0.03 C 0.02 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> C :: 179.798 CA :: 54.956 CB :: 17.865 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.958 HA :: 4.289 HB1 :: 1.471 HB2 :: 1.471 HB3 :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.494 Ave N Shift Values>> N :: 123.23(3.54) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.04 C 0.02 C Shift Assignments>> C :: 181.246 CA :: 55.293 CB :: 17.707 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.643 HA :: 4.069 HB1 :: 1.387 HB2 :: 1.387 HB3 :: 1.387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.444 Ave N Shift Values>> N :: 123.23(3.54) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.019 CA :: 68.335 CB :: 31.289 CG1 :: 21.921 CG2 :: 23.270 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 :: 8.947 HA :: 3.362 HB :: 2.294 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 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 :: 122.763 Ave N Shift Values>> N :: 121.14(4.54) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.04 C 0.02 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> C :: 181.402 CA :: 55.456 CB :: 17.990 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.495 HA :: 4.236 HB1 :: 1.560 HB2 :: 1.560 HB3 :: 1.560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.451 Ave N Shift Values>> N :: 123.23(3.54) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Q 0.36 E 0.16 C Shift Assignments>> C :: 178.180 CA :: 58.823 CB :: 29.219 CG :: 34.867 CD :: 179.382 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.470 HA :: 4.132 HB2 :: 2.231 HB3 :: 2.331 HG2 :: 2.551 HG3 :: 2.720 HE21 :: 7.282 HE22 :: 6.523 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 :: 116.561 NE2 :: 109.372 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.612 CA :: 67.573 CB :: 68.920 CG2 :: 21.418 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 :: 7.979 HA :: 3.405 HB :: 4.529 HG1 :: 6.089 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 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 :: 116.559 Ave N Shift Values>> N :: 115.42(4.75) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 I 0.31 E 0.2 K 0.01 C Shift Assignments>> C :: 178.058 CA :: 60.222 CB :: 29.910 CG :: 37.549 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 :: 7.912 HA :: 3.711 HB2 :: 2.263 HB3 :: 1.935 HG2 :: 2.619 HG3 :: 2.291 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 :: 119.665 Ave N Shift Values>> N :: 120.67(3.48) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.31 I 0.17 K 0.08 Q 0.04 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 179.643 CA :: 59.502 CB :: 29.122 CG :: 36.037 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 :: 7.868 HA :: 3.894 HB2 :: 2.092 HB3 :: 2.092 HG2 :: 2.331 HG3 :: 2.232 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 :: 117.369 Ave N Shift Values>> N :: 120.67(3.48) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.H8 1.H8 C Shift Assignments>> C :: 178.949 CA :: 65.121 CB :: 37.982 CG1 :: 29.570 CG2 :: 17.427 CD1 :: 14.198 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 :: 7.729 HA :: 3.459 HB :: 1.354 HG12 :: 0.188 HG13 :: 1.553 HG21 :: 0.447 HG22 :: 0.447 HG23 :: 0.447 HD11 :: 0.200 HD12 :: 0.200 HD13 :: 0.200 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 :: 119.653 Ave N Shift Values>> N :: 121.46(4.28) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 L 0.27 A 0.03 C Shift Assignments>> C :: 179.890 CA :: 57.680 CB :: 40.823 CG :: 25.973 CD1 :: 21.674 CD2 :: 25.977 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 :: 8.200 HA :: 3.988 HB2 :: 1.815 HB3 :: 1.606 HG :: 1.955 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 HD21 :: 0.637 HD22 :: 0.637 HD23 :: 0.637 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 :: 118.730 Ave N Shift Values>> N :: 121.86(3.9) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.32 R 0.24 C Shift Assignments>> C :: 178.465 CA :: 58.857 CB :: 32.571 CG :: 26.303 CD :: 29.496 CE :: 42.199 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 :: 8.428 HA :: 4.124 HB2 :: 1.836 HB3 :: 1.835 HG2 :: 1.679 HG3 :: 1.386 HD2 :: 1.632 HD3 :: 1.576 HE2 :: 2.897 HE3 :: 2.897 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 :: 117.943 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.380 CA :: 60.343 CB :: 63.373 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.721 HA :: 4.329 HB2 :: 3.994 HB3 :: 3.994 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 :: 114.799 Ave N Shift Values>> N :: 116.28(3.52) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.23 C 0.15 C Shift Assignments>> C :: 175.783 CA :: 54.003 CB :: 38.984 CG :: 176.871 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 :: 8.004 HA :: 4.733 HB2 :: 2.885 HB3 :: 2.794 HD21 :: 7.771 HD22 :: 6.961 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 :: 119.808 ND2 :: 112.315 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.972 CA :: 59.123 CB :: 63.743 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.025 HA :: 4.446 HB2 :: 3.988 HB3 :: 3.947 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 :: 115.396 Ave N Shift Values>> N :: 116.28(3.52) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.47 C 0.39 E 0.12 C Shift Assignments>> C :: 176.488 CA :: 56.336 CB :: 29.012 CG :: 33.890 CD :: 180.455 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.258 HA :: 4.396 HB2 :: 2.178 HB3 :: 2.063 HG2 :: 2.410 HG3 :: 2.410 HE21 :: 7.543 HE22 :: 6.829 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.572 NE2 :: 112.451 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.485 CA :: 62.582 CB :: 69.705 CG2 :: 21.624 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 :: 8.119 HA :: 4.285 HB :: 4.225 HG21 :: 1.199 HG22 :: 1.199 HG23 :: 1.199 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 :: 114.656 Ave N Shift Values>> N :: 115.42(4.75) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.1 F 0.1 K 0.09 Y 0.08 C 0.06 C Shift Assignments>> C :: 176.498 CA :: 54.541 CB :: 40.972 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 :: 8.336 HA :: 4.627 HB2 :: 2.760 HB3 :: 2.689 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 :: 122.510 Ave N Shift Values>> N :: 120.65(3.86) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.31 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 177.920 CA :: 55.926 CB :: 42.226 CG :: 26.934 CD1 :: 25.010 CD2 :: 23.373 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 :: 8.143 HA :: 4.201 HB2 :: 1.638 HB3 :: 1.556 HG :: 1.622 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 122.099 Ave N Shift Values>> N :: 121.86(3.9) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 K 0.08 M 0.07 Q 0.06 I 0.03 C Shift Assignments>> C :: 176.546 CA :: 56.974 CB :: 29.973 CG :: 36.184 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 :: 8.202 HA :: 4.132 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 2.210 HG3 :: 2.128 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 :: 119.476 Ave N Shift Values>> N :: 120.67(3.48) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 R 0.13 W 0.12 E 0.12 K 0.11 C 0.11 M 0.05 C Shift Assignments>> C :: 173.835 CA :: 55.778 CB :: 29.699 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 :: 8.151 HA :: 4.636 HB2 :: 3.166 HB3 :: 3.166 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 :: 118.057 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 C 0.12 Q 0.12 K 0.09 M 0.05 I 0.01 C Shift Assignments>> C :: 179.056 CA :: 57.195 CB :: 30.034 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 :: 8.255 HA :: 4.448 HB2 :: 3.233 HB3 :: 3.101 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 :: 125.326 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H122 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 115 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 120 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 124 #Suspicious: 0 C Shift Results: #Consistent: 563 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 873 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 141 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K16 HE2 = 2.128(S), Expected = 2.92, Std = 0.1900, ChiSquare = 3.0672e-05 1.K16 HE3 = 1.861(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.5628e-07 1.F45 HB3 = 1.233(S), Expected = 2.93, Std = 0.4000, ChiSquare = 2.2104e-05 1.V59 HG11 = -0.360(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7186e-06 1.V59 HG12 = -0.360(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7186e-06 1.V59 HG13 = -0.360(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7186e-06 1.G60 HA2 = 2.297(S), Expected = 3.97, Std = 0.3700, ChiSquare = 6.1368e-06 1.G60 HA3 = 2.622(S), Expected = 3.90, Std = 0.3700, ChiSquare = 5.5223e-04 1.T69 HG21 = 0.382(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.8194e-04 1.T69 HG22 = 0.382(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.8194e-04 1.T69 HG23 = 0.382(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.8194e-04 1.Y82 HB2 = 1.619(S), Expected = 2.91, Std = 0.3700, ChiSquare = 4.8449e-04 1.W83 HD1 = 5.831(S), Expected = 7.14, Std = 0.3600, ChiSquare = 2.7678e-04 1.I86 HG21 = -0.427(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2787e-06 1.I86 HG22 = -0.427(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2787e-06 1.I86 HG23 = -0.427(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2787e-06 1.K87 HB3 = 0.828(S), Expected = 1.74, Std = 0.2700, ChiSquare = 7.3074e-04