Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.92 C 0.02 M 0.02 L 0.02 C Shift Assignments>> C :: 173.331 CA :: 51.641 CB :: 20.315 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.257 HB1 :: 1.050 HB2 :: 1.050 HB3 :: 1.050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.32 M 0.21 C Shift Assignments>> C :: 174.634 CA :: 55.952 CB :: 31.825 CG :: 36.959 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 :: 8.728 HA :: 5.295 HB2 :: 2.218 HG2 :: 2.412 HG3 :: 2.337 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 :: 122.603 Ave N Shift Values>> N :: 120.67(3.48) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 G 0.25 C Shift Assignments>> C :: 175.485 CA :: 59.930 CB :: 43.739 CG1 :: 27.944 CG2 :: 19.040 CD1 :: 18.515 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 :: 8.850 HA :: 5.092 HB :: 1.491 HG12 :: 1.253 HG13 :: 0.646 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.457 HD12 :: 0.457 HD13 :: 0.457 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 :: 121.108 Ave N Shift Values>> N :: 121.46(4.28) 1.G5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.3 R 0.3 G 0.21 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.252 CA :: 43.910 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.366 HA2 :: 4.374 HA3 :: 2.189(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 120.022 Ave N Shift Values>> N :: 109.67(3.87) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 173.960 CA :: 60.061 CB :: 38.103 CG1 :: 26.959 CG2 :: 17.363 CD1 :: 13.860 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 :: 9.039 HA :: 5.249 HB :: 1.701 HG12 :: 0.746 HG13 :: 1.425 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 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 :: 127.376 Ave N Shift Values>> N :: 121.46(4.28) 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.31 C 0.16 C Shift Assignments>> C :: 174.461 CA :: 58.422 CB :: 42.067 CD1 :: 132.587 CE1 :: 130.676 CZ :: 130.026 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 :: 8.921 HA :: 4.728 HB2 :: 2.783 HB3 :: 2.769 HD1 :: 7.116 HE1 :: 6.627 HZ :: 6.867 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 :: 127.723 Ave N Shift Values>> N :: 120.45(4.18) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.511 CA :: 62.310 CB :: 34.160 CG1 :: 21.384 CG2 :: 22.800 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 :: 7.255 HA :: 4.867 HB :: 1.970 HG11 :: 0.593 HG12 :: 0.593 HG13 :: 0.593 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 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 :: 122.014 Ave N Shift Values>> N :: 121.14(4.54) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.067 CA :: 44.730 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.405 HA2 :: 4.384 HA3 :: 3.580 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.003 Ave N Shift Values>> N :: 109.67(3.87) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 T 0.38 A 0.03 HN Overlap>> 1.Q114 1.Q114 C Shift Assignments>> C :: 171.636 CA :: 59.660 CB :: 71.876 CG2 :: 19.051 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 :: 7.467 HA :: 5.116 HB :: 3.695 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.936 Ave N Shift Values>> N :: 115.42(4.75) 1.M11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 A 0.17 M 0.11 C Shift Assignments>> C :: 177.484 CA :: 55.740 CB :: 32.470 CG :: 31.990 CE :: 21.340 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 :: 11.078(S) HA :: 4.596 HB2 :: 1.450 HB3 :: 1.145 HG2 :: 1.836 HG3 :: 2.048 HE1 :: 2.320 HE2 :: 2.320 HE3 :: 2.320 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 :: 130.850 Ave N Shift Values>> N :: 120.09(3.57) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 176.883 CA :: 56.400 CB :: 38.390 CD1 :: 133.780 CE1 :: 118.069 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 :: 8.626 HA :: 4.936 HB2 :: 3.477 HB3 :: 3.237 HD1 :: 7.289 HE1 :: 6.747 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 :: 119.681 Ave N Shift Values>> N :: 120.52(4.2) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.800 CA :: 46.048 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.392 HA2 :: 3.613 HA3 :: 4.489 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.685 Ave N Shift Values>> N :: 109.67(3.87) 1.N14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.29 F 0.23 C 0.2 I 0.16 E 0.04 D 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 178.769 CA :: 58.504 CB :: 38.367 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 11.051(S) HA :: 4.432 HB2 :: 3.640 HB3 :: 2.317 HD21 :: 9.563(S) HD22 :: 7.226 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 :: 130.657 ND2 :: 118.610 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.973 CA :: 62.590 CB :: 63.883 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 11.191(S) HA :: 3.833 HB2 :: 3.624 HB3 :: 3.507 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 :: 119.853 Ave N Shift Values>> N :: 116.28(3.52) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.38 K 0.12 C Shift Assignments>> C :: 176.898 CA :: 57.352 CB :: 41.722 CG :: 26.938 CD1 :: 23.150 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.422 HA :: 4.018 HB2 :: 1.911 HB3 :: 1.175 HG :: 1.537 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 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 :: 119.295 Ave N Shift Values>> N :: 121.86(3.9) 1.L17 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 :: 179.688 CA :: 58.723 CB :: 40.829 CG :: 27.533 CD1 :: 24.929 CD2 :: 24.929 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 :: 7.549 HA :: 4.232 HB2 :: 2.091 HB3 :: 1.788 HG :: 1.685 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 HD21 :: 0.953 HD22 :: 0.953 HD23 :: 0.953 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 :: 122.509 Ave N Shift Values>> N :: 121.86(3.9) 1.V18 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 :: 178.607 CA :: 67.060 CB :: 31.220 CG1 :: 21.146 CG2 :: 23.134 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 :: 7.888 HA :: 3.289 HB :: 2.161 HG11 :: 0.784 HG12 :: 0.784 HG13 :: 0.784 HG21 :: 1.011 HG22 :: 1.011 HG23 :: 1.011 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 :: 118.755 Ave N Shift Values>> N :: 121.14(4.54) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.15 C 0.13 M 0.13 V 0.06 T 0.03 I 0.01 C Shift Assignments>> C :: 178.395 CA :: 55.590 CB :: 20.480 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.225 HA :: 3.788 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.221 Ave N Shift Values>> N :: 123.23(3.54) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.22 K 0.06 Q 0.03 C Shift Assignments>> C :: 181.070 CA :: 59.740 CB :: 29.030 CG :: 36.240 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 :: 8.830 HA :: 4.033 HB2 :: 2.274 HB3 :: 2.040 HG2 :: 2.590 HG3 :: 2.248 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 :: 119.581 Ave N Shift Values>> N :: 120.67(3.48) 1.E21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 E 0.28 I 0.27 K 0.03 HN Overlap>> 1.K32 1.K32 C Shift Assignments>> C :: 179.510 CA :: 59.445 CB :: 29.231 CG :: 37.072 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 :: 8.590 HA :: 4.032 HB2 :: 2.802(S) HB3 :: 2.032 HG2 :: 2.412 HG3 :: 2.248 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 :: 122.380 Ave N Shift Values>> N :: 120.67(3.48) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.44 I 0.02 C 0.02 C Shift Assignments>> C :: 178.942 CA :: 54.750 CB :: 18.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.434 HA :: 4.059 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 :: 122.395 Ave N Shift Values>> N :: 123.23(3.54) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.18 I 0.15 K 0.13 Q 0.1 HN Overlap>> 1.L26 1.L26 C Shift Assignments>> C :: 178.413 CA :: 60.410 CB :: 28.910 CG :: 35.080 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 :: 8.543 HA :: 3.426 HB2 :: 2.379 HB3 :: 1.807 HG2 :: 2.103 HG3 :: 2.019 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 :: 120.013 Ave N Shift Values>> N :: 120.67(3.48) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.05 C 0.03 C Shift Assignments>> C :: 181.090 CA :: 55.550 CB :: 18.070 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.451 HA :: 4.058 HB1 :: 1.543 HB2 :: 1.543 HB3 :: 1.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.821 Ave N Shift Values>> N :: 123.23(3.54) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 178.484 CA :: 65.173 CB :: 39.134 CG1 :: 29.968 CG2 :: 17.221 CD1 :: 14.385 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 :: 7.683 HA :: 3.684 HB :: 1.799 HG12 :: 1.769 HG13 :: 1.073 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 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 :: 121.721 Ave N Shift Values>> N :: 121.46(4.28) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.38 R 0.02 HN Overlap>> 1.E23 1.E23 C Shift Assignments>> C :: 179.957 CA :: 58.030 CB :: 41.210 CG :: 27.120 CD1 :: 22.370 CD2 :: 25.600 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 :: 8.626 HA :: 4.175 HB2 :: 1.739 HB3 :: 1.249 HG :: 1.833 HD11 :: 0.961 HD12 :: 0.961 HD13 :: 0.961 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 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 :: 120.008 Ave N Shift Values>> N :: 121.86(3.9) 1.T27 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 :: 179.074 CA :: 65.946 CB :: 68.620 CG2 :: 21.860 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 :: 8.782 HA :: 4.545 HB :: 4.263 HG21 :: 1.348 HG22 :: 1.348 HG23 :: 1.348 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 :: 118.391 Ave N Shift Values>> N :: 115.42(4.75) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.03 C 0.01 C Shift Assignments>> C :: 179.423 CA :: 54.860 CB :: 17.650 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.787 HA :: 4.212 HB1 :: 1.570 HB2 :: 1.570 HB3 :: 1.570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.965 Ave N Shift Values>> N :: 123.23(3.54) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 E 0.09 M 0.05 R 0.02 C Shift Assignments>> C :: 176.526 CA :: 56.660 CB :: 29.336 CG :: 33.923 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 :: 7.359 HA :: 4.132 HB2 :: 2.259 HB3 :: 1.950 HG2 :: 2.774 HG3 :: 2.265 HE21 :: 6.876 HE22 :: 6.988 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 :: 116.223 NE2 :: 107.382 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.813 CA :: 44.470 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.900 HA2 :: 4.146 HA3 :: 3.624 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.607 Ave N Shift Values>> N :: 109.67(3.87) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 H 0.37 W 0.24 C Shift Assignments>> C :: 174.690 CA :: 55.940 CB :: 32.220 CD2 :: 118.834 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 :: 7.556 HA :: 4.835 HB2 :: 2.945 HB3 :: 2.491 HD2 :: 7.051 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.071 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.34 R 0.1 G 0.01 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 174.518 CA :: 54.906 CB :: 32.927 CG :: 24.697 CD :: 29.338 CE :: 42.340 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 :: 8.670 HA :: 4.729 HB2 :: 1.953 HB3 :: 1.821 HG2 :: 1.484 HG3 :: 1.449 HD2 :: 1.695 HE2 :: 2.982 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 :: 122.416 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.6 L 0.24 C 0.13 C Shift Assignments>> C :: 175.582 CA :: 50.024 CB :: 22.439 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.813 HA :: 5.841(S) HB1 :: 1.198 HB2 :: 1.198 HB3 :: 1.198 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.747 Ave N Shift Values>> N :: 123.23(3.54) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 HN Overlap>> 1.L111 1.L111 C Shift Assignments>> C :: 171.283 CA :: 61.832 CB :: 71.968 CG2 :: 21.835 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 :: 7.793 HA :: 4.360 HB :: 3.719 HG21 :: 0.556 HG22 :: 0.556 HG23 :: 0.556 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.711 Ave N Shift Values>> N :: 115.42(4.75) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.646 CA :: 62.061 CB :: 32.673 CG1 :: 21.862 CG2 :: 23.300 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 :: 8.468 HA :: 4.159 HB :: 1.797 HG11 :: 0.606 HG12 :: 0.606 HG13 :: 0.606 HG21 :: 0.698 HG22 :: 0.698 HG23 :: 0.698 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 :: 127.185 Ave N Shift Values>> N :: 121.14(4.54) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.33 C 0.21 C Shift Assignments>> C :: 174.274 CA :: 57.868 CB :: 40.423 CD1 :: 132.650 CE1 :: 130.500 CZ :: 130.500 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 :: 9.135 HA :: 4.551 HB2 :: 2.810 HB3 :: 2.451 HD1 :: 6.484 HE1 :: 7.127 HZ :: 7.595 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 :: 128.203 Ave N Shift Values>> N :: 120.45(4.18) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.29 M 0.19 C Shift Assignments>> C :: 176.015 CA :: 55.617 CB :: 31.744 CG :: 37.330 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 :: 8.397 HA :: 4.450 HB2 :: 1.981 HB3 :: 1.851 HG2 :: 2.132 HG3 :: 2.070 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 :: 124.111 Ave N Shift Values>> N :: 120.67(3.48) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.13 F 0.11 Y 0.09 C 0.06 K 0.06 C Shift Assignments>> C :: 174.013 CA :: 54.494 CB :: 40.735 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.757 HA :: 4.897 HB2 :: 2.797 HB3 :: 2.723 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 :: 121.124 Ave N Shift Values>> N :: 120.65(3.86) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.72 P 0.27 C Shift Assignments>> C :: 176.323 CA :: 63.233 CB :: 34.473 CG :: 28.822 CD :: 50.557 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 :: 4.646 HB2 :: 2.589 HB3 :: 2.263 HG2 :: 2.446 HG3 :: 2.154 HD2 :: 4.084 HD3 :: 3.884 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.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.26 E 0.1 C Shift Assignments>> C :: 177.896 CA :: 53.830 CB :: 33.505 CG :: 36.556 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 :: 9.182 HA :: 4.719 HB2 :: 2.293 HB3 :: 1.915 HG2 :: 2.422 HG3 :: 2.337 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 :: 119.725 Ave N Shift Values>> N :: 120.67(3.48) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.45 K 0.02 C Shift Assignments>> C :: 178.785 CA :: 58.544 CB :: 41.674 CG :: 25.823 CD1 :: 23.408 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 :: 9.202 HA :: 3.899 HB2 :: 1.902 HB3 :: 1.346 HG :: 0.740 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 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 :: 124.500 Ave N Shift Values>> N :: 121.86(3.9) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.393 CA :: 61.564 CB :: 60.532 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.412 HA :: 4.013 HB2 :: 3.910 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 :: 111.207 Ave N Shift Values>> N :: 116.28(3.52) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.23 K 0.15 F 0.1 D 0.07 Y 0.06 C 0.06 G 0.01 C Shift Assignments>> C :: 176.219 CA :: 56.920 CB :: 42.830 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 :: 7.697 HA :: 4.460 HB2 :: 2.935 HB3 :: 1.948 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 :: 120.569 Ave N Shift Values>> N :: 120.65(3.86) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 177.212 CA :: 59.458 CB :: 30.394 CD1 :: 126.275 CZ2 :: 113.380 CZ3 :: 120.880 CH2 :: 123.460 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.441 HA :: 4.215 HB2 :: 3.379 HB3 :: 2.713 HD1 :: 6.415 HE1 :: 10.817 HZ2 :: 7.062 HZ3 :: 6.075 HH2 :: 6.658 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 :: 119.197 NE1 :: 130.106 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 L 0.1 C Shift Assignments>> C :: 176.359 CA :: 59.501 CB :: 39.363 CG :: 25.200 CD1 :: 22.962 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 :: 7.590 HA :: 4.175 HB2 :: 1.547 HB3 :: 1.960 HG :: 0.949 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 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 :: 115.001 Ave N Shift Values>> N :: 121.86(3.9) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> C :: 176.821 CA :: 65.173 CB :: 31.628 CG :: 28.012 CD :: 51.731 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 :: 4.373 HB2 :: 2.224 HB3 :: 1.188 HG2 :: 1.827 HG3 :: 2.160 HD2 :: 3.740 HD3 :: 3.456 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.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 C 0.35 F 0.16 C Shift Assignments>> C :: 175.807 CA :: 59.193 CB :: 38.091 CD2 :: 133.542 CE2 :: 118.549 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 :: 8.276 HA :: 4.147 HB2 :: 3.172 HB3 :: 2.288 HD2 :: 7.345 HE2 :: 6.948 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 :: 114.318 Ave N Shift Values>> N :: 120.52(4.2) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.29 M 0.09 Q 0.05 I 0.05 K 0.02 C Shift Assignments>> C :: 174.396 CA :: 60.000 CB :: 30.961 CG :: 35.571 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 :: 7.313 HA :: 3.875 HB2 :: 2.210 HB3 :: 2.083 HG2 :: 2.631 HG3 :: 2.578 HE21 :: 7.502 HE22 :: 7.148 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 :: 117.482 NE2 :: 111.869 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.32 L 0.1 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.365 CA :: 51.804 CB :: 40.204 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 :: 7.859 HA :: 4.703 HB2 :: 2.760 HB3 :: 2.523 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 :: 115.298 Ave N Shift Values>> N :: 120.65(3.86) 1.K50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.31 R 0.25 G 0.02 C Shift Assignments>> C :: 173.073 CA :: 54.603 CB :: 33.504 CG :: 25.374 CD :: 29.860 CE :: 42.669 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.870 HA :: 4.593 HB2 :: 2.755(S) HB3 :: 1.808 HG2 :: 1.553 HG3 :: 1.397 HD2 :: 1.452 HD3 :: 1.765 HE2 :: 2.960 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.506 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 C 0.31 F 0.16 G 0.06 C Shift Assignments>> C :: 175.893 CA :: 56.407 CB :: 42.658 CD2 :: 133.959 CE2 :: 118.304 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 :: 7.772 HA :: 6.079 HB2 :: 3.160 HB3 :: 2.621 HD2 :: 6.957 HE2 :: 6.664 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 :: 119.088 Ave N Shift Values>> N :: 120.52(4.2) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.13 A 0.01 HN Overlap>> 1.G93 1.G93 C Shift Assignments>> C :: 173.932 CA :: 58.843 CB :: 36.318 CG1 :: 20.187 CG2 :: 22.460 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 :: 8.636 HA :: 5.485 HB :: 1.876 HG11 :: 0.650 HG12 :: 0.650 HG13 :: 0.650 HG21 :: 0.304 HG22 :: 0.304 HG23 :: 0.304 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 112.744 Ave N Shift Values>> N :: 121.14(4.54) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 A 0.2 L 0.15 C 0.09 C Shift Assignments>> C :: 175.011 CA :: 52.768 CB :: 45.254 CG :: 27.017 CD1 :: 24.439 CD2 :: 21.603 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 :: 9.163 HA :: 4.902 HB2 :: 1.560 HB3 :: 1.040 HG :: 0.981 HD11 :: 0.377 HD12 :: 0.377 HD13 :: 0.377 HD21 :: 0.053 HD22 :: 0.053 HD23 :: 0.053 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 :: 124.951 Ave N Shift Values>> N :: 121.86(3.9) 1.V54 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 :: 173.920 CA :: 62.000 CB :: 32.659 CG1 :: 19.516 CG2 :: 20.806 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 :: 8.635 HA :: 4.427 HB :: 1.862 HG11 :: 0.038 HG12 :: 0.038 HG13 :: 0.038 HG21 :: 0.715 HG22 :: 0.715 HG23 :: 0.715 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 :: 128.590 Ave N Shift Values>> N :: 121.14(4.54) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 174.780 CA :: 59.759 CB :: 32.870 CG1 :: 20.426 CG2 :: 22.119 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 :: 8.592 HA :: 5.130 HB :: 1.896 HG11 :: 0.561 HG12 :: 0.561 HG13 :: 0.561 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 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 :: 128.366 Ave N Shift Values>> N :: 121.14(4.54) 1.T56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 T 0.36 A 0.15 C Shift Assignments>> C :: 172.940 CA :: 58.470 CB :: 70.116 CG2 :: 19.025 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 :: 8.400 HA :: 6.170(S) HB :: 3.569 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.480 Ave N Shift Values>> N :: 115.42(4.75) 1.S57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> S 0.99 C Shift Assignments>> C :: 173.902 CA :: 56.692 CB :: 64.142 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.061 HA :: 5.474 HB2 :: 4.245 HB3 :: 3.998 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 :: 127.922(S) Ave N Shift Values>> N :: 116.28(3.52) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 172.910 CA :: 62.079 CB :: 72.387 CG2 :: 22.246 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.312 HA :: 4.441 HB :: 3.381 HG21 :: 1.296 HG22 :: 1.296 HG23 :: 1.296 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.858 Ave N Shift Values>> N :: 115.42(4.75) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.31 A 0.06 C Shift Assignments>> C :: 172.660 CA :: 58.528 CB :: 69.981 CG2 :: 19.798 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 :: 8.799 HA :: 3.349 HB :: 3.525 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 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 :: 122.985 Ave N Shift Values>> N :: 115.42(4.75) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.09 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 175.153 CA :: 47.536 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.141 HA2 :: 4.408 HA3 :: 4.056 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.060 Ave N Shift Values>> N :: 109.67(3.87) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.31 K 0.16 R 0.09 E 0.08 I 0.01 C Shift Assignments>> C :: 175.766 CA :: 55.634 CB :: 27.455 CG :: 34.460 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 :: 8.979 HA :: 4.443 HB2 :: 2.350 HB3 :: 2.217 HG2 :: 2.438 HG3 :: 2.463 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 :: 121.782 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.048 CA :: 46.231 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.212 HA2 :: 4.224 HA3 :: 3.546 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.952 Ave N Shift Values>> N :: 109.67(3.87) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.23 D 0.17 G 0.07 C 0.04 K 0.04 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 175.914 CA :: 53.562 CB :: 43.298 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 :: 7.507 HA :: 4.626 HB2 :: 2.662 HB3 :: 2.320 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 :: 120.902 Ave N Shift Values>> N :: 120.65(3.86) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.18 R 0.06 G 0.01 C Shift Assignments>> C :: 173.858 CA :: 52.798 CB :: 42.116 CG :: 27.533 CD1 :: 25.728 CD2 :: 24.960 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 :: 8.228 HA :: 4.270 HB2 :: 1.282 HB3 :: 1.039 HG :: 1.272 HD11 :: 0.045 HD12 :: 0.045 HD13 :: 0.045 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 :: 120.919 Ave N Shift Values>> N :: 121.86(3.9) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 176.766 CA :: 62.595 CB :: 32.509 CG :: 28.178 CD :: 50.456 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 :: 4.101 HB2 :: 1.705 HB3 :: 1.512 HG2 :: 1.560 HG3 :: 1.430 HD2 :: 3.231 HD3 :: 3.681 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.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.11 L 0.1 D 0.08 I 0.07 K 0.06 N 0.01 C Shift Assignments>> C :: 178.411 CA :: 57.800 CB :: 40.476 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 :: 8.259 HA :: 4.163 HB2 :: 2.633 HB3 :: 2.582 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 :: 122.708 Ave N Shift Values>> N :: 120.65(3.86) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.629 CA :: 60.793 CB :: 64.140 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.516 HA :: 4.295 HB2 :: 4.567 HB3 :: 4.192 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 :: 112.123 Ave N Shift Values>> N :: 116.28(3.52) 1.I68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 G 0.09 C Shift Assignments>> C :: 174.838 CA :: 60.748 CB :: 43.018 CG1 :: 33.589(S) CG2 :: 16.346 CD1 :: 13.869 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 :: 7.964 HA :: 5.116 HB :: 1.680 HG12 :: 2.014 HG13 :: 1.756 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 HD11 :: 0.597 HD12 :: 0.597 HD13 :: 0.597 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 :: 121.520 Ave N Shift Values>> N :: 121.46(4.28) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.622 CA :: 68.856 CB :: 29.982 CG1 :: 21.424 CG2 :: 24.992 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 :: 7.385 HA :: 3.690 HB :: 2.247 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 126.643 Ave N Shift Values>> N :: 121.14(4.54) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 180.963 CA :: 66.590 CB :: 30.902 CG :: 28.785 CD :: 50.000 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 :: 4.278 HB2 :: 2.349 HB3 :: 1.963 HG2 :: 2.226 HG3 :: 1.908 HD2 :: 3.880 HD3 :: 3.650 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.L71 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.99 C Shift Assignments>> C :: 176.465 CA :: 158.320(A) CB :: 41.354 CG :: 27.000 CD1 :: 22.309 CD2 :: 25.637 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 :: 7.927 HA :: 3.817 HB2 :: 2.036 HB3 :: 1.321 HG :: 1.110 HD11 :: 0.470 HD12 :: 0.470 HD13 :: 0.470 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 119.953 Ave N Shift Values>> N :: 121.86(3.9) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.37 C 0.2 C Shift Assignments>> C :: 176.121 CA :: 62.036 CB :: 39.907 CD2 :: 131.669 CE2 :: 131.198 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 :: 7.990 HA :: 3.179 HB2 :: 3.008 HB3 :: 2.589 HD2 :: 6.101 HE2 :: 7.013 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 :: 120.155 Ave N Shift Values>> N :: 120.45(4.18) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.24 R 0.07 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 177.978 CA :: 58.269 CB :: 28.275 CG :: 33.966 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 :: 9.016 HA :: 3.539 HB2 :: 2.058 HB3 :: 1.981 HG2 :: 2.530 HG3 :: 2.352 HE21 :: 7.682 HE22 :: 6.765 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 :: 116.352 NE2 :: 113.509 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 175.863 CA :: 47.371 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.024 HA2 :: 3.910 HA3 :: 3.472 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.774 Ave N Shift Values>> N :: 109.67(3.87) 1.I75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.632 CA :: 65.480 CB :: 38.040 CG1 :: 28.089 CG2 :: 17.478 CD1 :: 13.096 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 :: 8.212 HA :: 3.050 HB :: 1.123 HG12 :: 0.962 HG13 :: -0.548(S) HG21 :: 0.253 HG22 :: 0.253 HG23 :: 0.253 HD11 :: -0.788(S) HD12 :: -0.788(S) HD13 :: -0.788(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.254 Ave N Shift Values>> N :: 121.46(4.28) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.44 R 0.03 C Shift Assignments>> C :: 177.897 CA :: 59.880 CB :: 32.340 CG :: 24.224 CD :: 29.497 CE :: 41.782 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 :: 7.612 HA :: 3.304 HB2 :: 1.552 HB3 :: 1.118 HG2 :: 1.160 HG3 :: 1.059 HD2 :: 1.405 HD3 :: 1.374 HE2 :: 2.869 HE3 :: 2.800 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 :: 119.953 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 K 0.18 D 0.17 F 0.16 Y 0.12 C 0.07 R 0.02 N 0.02 I 0.01 C Shift Assignments>> C :: 178.849 CA :: 56.370 CB :: 41.310 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 :: 8.484 HA :: 4.485 HB2 :: 2.667 HB3 :: 2.547 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 :: 115.846 Ave N Shift Values>> N :: 120.65(3.86) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 S 0.08 C Shift Assignments>> C :: 174.649 CA :: 64.730 CB :: 60.090 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.277 HA :: 4.743 HB2 :: 3.914 HB3 :: 3.821 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 :: 113.177 Ave N Shift Values>> N :: 116.28(3.52) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 A 0.29 L 0.25 C Shift Assignments>> C :: 176.270 CA :: 54.140 CB :: 39.170 CG :: 26.760 CD1 :: 22.210 CD2 :: 26.502 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 :: 7.010 HA :: 4.834 HB2 :: 2.203 HB3 :: 1.384 HG :: 1.484 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 121.498 Ave N Shift Values>> N :: 121.86(3.9) 1.G80 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 :: 173.710 CA :: 46.360 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.500 HA2 :: 4.519 HA3 :: 3.440 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.713 Ave N Shift Values>> N :: 109.67(3.87) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.39 C 0.17 C Shift Assignments>> C :: 174.406 CA :: 57.290 CB :: 40.680 CD1 :: 131.690 CE1 :: 131.690 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 :: 8.005 HA :: 5.052 HB2 :: 2.954 HD1 :: 7.290 HE1 :: 7.415 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 :: 122.163 Ave N Shift Values>> N :: 120.45(4.18) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.35 E 0.13 Q 0.06 C Shift Assignments>> C :: 172.761 CA :: 54.270 CB :: 32.570 CG :: 35.267 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 :: 9.563 HA :: 4.886 HB2 :: 2.437 HB3 :: 1.789 HG2 :: 2.368 HG3 :: 2.233 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 :: 126.999 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.201 CA :: 63.796 CB :: 31.883 CG :: 26.860 CD :: 49.000 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 :: 4.374 HB2 :: 1.784 HB3 :: 1.638 HG2 :: 1.500 HD2 :: 1.600(S) HD3 :: 3.049 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.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.23 C 0.07 L 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 173.437 CA :: 52.580 CB :: 39.390 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 :: 8.535 HA :: 4.782 HB2 :: 3.008 HB3 :: 2.717 HD21 :: 6.931 HD22 :: 7.626 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 :: 117.556 ND2 :: 114.760 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 0.37 C 0.33 R 0.26 G 0.01 K 0.01 C Shift Assignments>> C :: 175.826 CA :: 55.888 CB :: 42.451 CG :: 27.533 CD1 :: 24.365 CD2 :: 27.000 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 :: 7.241 HA :: 4.041 HB2 :: 2.042 HB3 :: 1.646 HG :: 1.300 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.932 HD22 :: 0.932 HD23 :: 0.932 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 :: 125.064 Ave N Shift Values>> N :: 121.86(3.9) 1.R86 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> K 0.45 C 0.32 R 0.21 C Shift Assignments>> C :: 175.521 CA :: 54.547 CB :: 32.947 CG :: 28.099 CD :: 42.095 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 :: 7.694 HA :: 5.776 HB2 :: 1.561 HB3 :: 1.328 HG2 :: 1.621 HG3 :: 1.403 HD2 :: 2.940 HE :: 6.706 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 :: 129.319 NE :: 113.850(A) 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.Y87 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.9 C 0.08 Y 0.01 C Shift Assignments>> C :: 172.904 CA :: 55.258 CB :: 44.978 CD1 :: 133.308 CE1 :: 115.256 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 :: 8.870 HA :: 6.749(A) HB2 :: 2.580 HB3 :: 3.017 HD1 :: 6.704 HE1 :: 6.750 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.245 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (HD1 > HA : 1.0000) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.706 CA :: 43.718 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.960 HA2 :: 5.085 HA3 :: 3.513 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.645 Ave N Shift Values>> N :: 109.67(3.87) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 173.120 CA :: 60.900 CB :: 36.482 CG1 :: 21.546 CG2 :: 20.762 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 :: 7.542 HA :: 5.062 HB :: 1.816 HG11 :: 1.118 HG12 :: 1.118 HG13 :: 1.118 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 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 :: 118.644 Ave N Shift Values>> N :: 121.14(4.54) 1.I90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 172.415 CA :: 60.913 CB :: 39.908 CG1 :: 25.766 CG2 :: 17.640 CD1 :: 13.869 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 :: 8.791 HA :: 3.872 HB :: 1.347 HG12 :: 0.745 HG13 :: -0.426(S) HG21 :: 0.448 HG22 :: 0.448 HG23 :: 0.448 HD11 :: 0.443 HD12 :: 0.443 HD13 :: 0.443 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 :: 125.753 Ave N Shift Values>> N :: 121.46(4.28) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 G 0.24 C 0.09 L 0.07 C Shift Assignments>> C :: 174.101 CA :: 48.820 CB :: 22.050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.323 HA :: 5.085 HB1 :: 1.248 HB2 :: 1.248 HB3 :: 1.248 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.575 Ave N Shift Values>> N :: 123.23(3.54) 1.L92 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.39 G 0.08 K 0.05 C Shift Assignments>> C :: 178.320 CA :: 56.910 CB :: 43.450 CG :: 32.860(S) CD1 :: 26.502 CD2 :: 24.778 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 :: 8.038 HA :: 4.746 HB2 :: 2.063 HB3 :: 1.084 HG :: 1.702 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.745 HD22 :: 0.745 HD23 :: 0.745 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 :: 125.621 Ave N Shift Values>> N :: 121.86(3.9) 1.G93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 HN Overlap>> 1.V52 1.V52 C Shift Assignments>> C :: 174.247 CA :: 46.810 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.693 HA2 :: 5.266(S) HA3 :: 4.412 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.841 Ave N Shift Values>> N :: 109.67(3.87) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.27 G 0.12 D 0.1 C 0.04 F 0.04 Y 0.02 K 0.02 C Shift Assignments>> C :: 176.405 CA :: 54.740 CB :: 43.760 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.239 HA :: 5.598 HB2 :: 3.252 HB3 :: 3.199 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 :: 123.084 Ave N Shift Values>> N :: 120.65(3.86) 1.S95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.379 CA :: 60.450 CB :: 61.450 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.350 HA :: 3.913 HB2 :: 3.713 HB3 :: 2.686(S) 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 :: 126.113 Ave N Shift Values>> N :: 116.28(3.52) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.154 CA :: 60.532 CB :: 62.714 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.232 HA :: 4.095 HB2 :: 3.504 HB3 :: 3.299 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 :: 120.350 Ave N Shift Values>> N :: 116.28(3.52) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.31 F 0.19 C Shift Assignments>> C :: 175.741 CA :: 57.308 CB :: 38.578 CD2 :: 133.510 CE2 :: 116.194 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 :: 7.867 HA :: 4.317 HB2 :: 2.958 HB3 :: 2.632 HD2 :: 6.973 HE2 :: 6.048 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 :: 121.261 Ave N Shift Values>> N :: 120.52(4.2) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.551 CA :: 65.000 CB :: 31.975 CG1 :: 21.510 CG2 :: 20.929 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 :: 8.287 HA :: 3.880 HB :: 2.057 HG11 :: 1.055 HG12 :: 1.055 HG13 :: 1.055 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 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 :: 119.295 Ave N Shift Values>> N :: 121.14(4.54) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.14 D 0.05 Y 0.05 F 0.04 E 0.03 M 0.03 L 0.01 HN Overlap>> 1.A109 1.A109 C Shift Assignments>> C :: 177.463 CA :: 52.526 CB :: 37.406 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 :: 8.312 HA :: 5.057 HB2 :: 3.023 HB3 :: 2.631 HD22 :: 7.117 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 :: 118.985 ND2 :: 115.042 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.38 C 0.21 C Shift Assignments>> C :: 175.806 CA :: 57.180 CB :: 39.179 CD2 :: 131.790 CE2 :: 131.665 CZ :: 130.260 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 :: 8.144 HA :: 5.103 HB2 :: 3.388 HB3 :: 2.978 HD2 :: 7.236 HE2 :: 7.288 HZ :: 7.075 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 :: 127.036 Ave N Shift Values>> N :: 120.45(4.18) 1.C101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 P 0.27 C 0.22 V 0.07 K 0.01 C Shift Assignments>> C :: 175.061 CA :: 63.460 CB :: 25.123 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.459 HA :: 3.505 HB2 :: 2.634 HB3 :: 2.063 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 :: 120.536 Ave N Shift Values>> N :: 120.17(4.64) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.15 D 0.09 L 0.06 I 0.06 N 0.05 E 0.01 C Shift Assignments>> C :: 177.024 CA :: 56.919 CB :: 39.207 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 :: 7.188 HA :: 4.222 HB2 :: 2.831 HB3 :: 2.471 HD21 :: 7.093 HD22 :: 8.116 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 :: 115.763 ND2 :: 115.692 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.936 CA :: 46.868 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.310 HA2 :: 3.558 HA3 :: 3.448 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.259 Ave N Shift Values>> N :: 109.67(3.87) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 174.918 CA :: 47.125 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.864 HA2 :: 3.482 HA3 :: 3.398 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.133 Ave N Shift Values>> N :: 109.67(3.87) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.27 R 0.2 G 0.02 C Shift Assignments>> C :: 179.483 CA :: 60.559 CB :: 32.086 CG :: 25.890 CD :: 29.863 CE :: 42.485 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 :: 7.785 HA :: 3.909 HB2 :: 1.981 HB3 :: 1.808 HG2 :: 1.370 HD2 :: 1.711 HD3 :: 1.565 HE2 :: 2.975 HE3 :: 2.768 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 :: 120.477 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.19 Q 0.19 K 0.18 I 0.05 M 0.02 R 0.01 C Shift Assignments>> C :: 179.395 CA :: 59.116 CB :: 29.337 CG :: 34.750 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 :: 8.516 HA :: 4.176 HB2 :: 2.117 HB3 :: 1.971 HG2 :: 2.410 HG3 :: 2.335 HE21 :: 6.512 HE22 :: 6.760 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 :: 119.776 NE2 :: 110.902 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.3 C 0.2 C Shift Assignments>> C :: 178.316 CA :: 62.570 CB :: 39.919 CD2 :: 131.074 CE2 :: 131.192 CZ :: 128.850 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 :: 7.746 HA :: 4.212 HB2 :: 3.157 HB3 :: 2.997 HD2 :: 7.177 HE2 :: 7.014 HZ :: 6.700 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 :: 123.271 Ave N Shift Values>> N :: 120.45(4.18) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 G 0.23 L 0.17 C 0.1 F 0.09 Y 0.05 D 0.01 K 0.01 C Shift Assignments>> C :: 177.416 CA :: 58.469 CB :: 44.090 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 :: 8.403 HA :: 4.377 HB2 :: 3.012 HB3 :: 2.766 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 :: 117.940 Ave N Shift Values>> N :: 120.65(3.86) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.03 C 0.02 HN Overlap>> 1.N99 1.N99 C Shift Assignments>> C :: 180.599 CA :: 55.118 CB :: 18.137 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.290 HA :: 4.060 HB1 :: 1.532 HB2 :: 1.532 HB3 :: 1.532 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.985 Ave N Shift Values>> N :: 123.23(3.54) 1.L110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 L 0.34 R 0.1 C Shift Assignments>> C :: 177.909 CA :: 57.797 CB :: 41.679 CG :: 26.759 CD1 :: 23.263 CD2 :: 27.000 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 :: 7.749 HA :: 4.086 HB2 :: 1.787 HB3 :: 1.426 HG :: -0.241(S) HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 120.842 Ave N Shift Values>> N :: 121.86(3.9) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 L 0.16 A 0.01 HN Overlap>> 1.T34 1.T34 C Shift Assignments>> C :: 179.924 CA :: 58.212 CB :: 38.962 CG :: 25.743 CD1 :: 21.860 CD2 :: 24.439 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 :: 7.737 HA :: 3.713 HB2 :: 1.336 HB3 :: 0.606 HG :: 1.783 HD11 :: 0.595 HD12 :: 0.595 HD13 :: 0.595 HD21 :: 0.296 HD22 :: 0.296 HD23 :: 0.296 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 :: 117.658 Ave N Shift Values>> N :: 121.86(3.9) 1.Q112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.32 E 0.23 Q 0.17 K 0.17 I 0.05 M 0.02 C Shift Assignments>> C :: 181.257 CA :: 58.985 CB :: 29.368 CG :: 35.000 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 :: 8.462 HA :: 4.142 HB2 :: 2.350 HB3 :: 2.230 HG2 :: 2.390 HE21 :: 7.610 HE22 :: 8.089 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 :: 119.073 NE2 :: 117.700(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.19 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.068 CA :: 59.243 CB :: 29.288 CG :: 36.553 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 :: 8.261 HA :: 4.193 HB2 :: 2.342 HG2 :: 2.454 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.470 Ave N Shift Values>> N :: 120.67(3.48) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.13 Q 0.12 HN Overlap>> 1.T10 1.T10 C Shift Assignments>> C :: 174.545 CA :: 56.487 CB :: 25.764 CG :: 33.330 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 :: 7.510 HA :: 4.599 HB2 :: 2.319 HB3 :: 1.724 HG2 :: 2.175 HG3 :: 2.853 HE21 :: 6.240 HE22 :: 7.420 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 :: 117.862 NE2 :: 109.757 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.384 CA :: 60.405 CB :: 61.365 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.942 HA :: 4.193 HB2 :: 4.288 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 :: 109.754 Ave N Shift Values>> N :: 116.28(3.52) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.13 C 0.06 C Shift Assignments>> C :: 176.827 CA :: 51.772 CB :: 21.370 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.798 HA :: 4.803 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.647 Ave N Shift Values>> N :: 123.23(3.54) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.29 C 0.24 K 0.1 E 0.04 C Shift Assignments>> C :: 173.863 CA :: 54.672 CB :: 30.843 CG :: 33.659 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 :: 8.591 HA :: 4.611 HB2 :: 2.058 HG2 :: 2.380 HG3 :: 2.259 HE21 :: 7.677 HE22 :: 6.889 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 :: 118.679 NE2 :: 113.400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R118 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.4 C 0.4 G 0.12 K 0.06 C Shift Assignments>> C :: 176.859 CA :: 56.149 CB :: 30.320 CG :: 28.560 CD :: 43.761 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 :: 8.682 HA :: 3.359 HB2 :: 1.641 HB3 :: 1.469 HG2 :: 1.137 HG3 :: 1.534 HD2 :: 3.381 HD3 :: 3.294 HE :: 8.302 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 :: 128.711 NE :: 113.682(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.801 CA :: 62.278 CB :: 32.689 CG1 :: 21.600 CG2 :: 21.910 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 :: 9.568 HA :: 4.128 HB :: 1.866 HG11 :: 0.460 HG12 :: 0.460 HG13 :: 0.460 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 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 :: 132.609 Ave N Shift Values>> N :: 121.14(4.54) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.806 CA :: 44.087 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.771 HA2 :: 4.257 HA3 :: 3.812 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.879 Ave N Shift Values>> N :: 109.67(3.87) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 M 0.29 Q 0.03 C Shift Assignments>> C :: 177.354 CA :: 54.568 CB :: 31.658 CG :: 36.298 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 :: 8.554 HA :: 4.671 HB2 :: 2.187 HB3 :: 2.008 HG2 :: 2.414 HG3 :: 2.379 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 :: 119.353 Ave N Shift Values>> N :: 120.67(3.48) 1.M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.35 A 0.03 I 0.01 C Shift Assignments>> C :: 175.555 CA :: 56.925 CB :: 34.256 CG :: 30.095 CE :: 16.189 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 :: 8.917 HA :: 4.469 HB2 :: 1.960 HB3 :: 1.865 HG2 :: 2.251 HG3 :: 2.131 HE1 :: 1.889 HE2 :: 1.889 HE3 :: 1.889 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.600 Ave N Shift Values>> N :: 120.09(3.57) 1.L123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 A 0.3 L 0.3 R 0.03 C Shift Assignments>> C :: 173.492 CA :: 53.800 CB :: 41.185 CG :: 26.240 CD1 :: 22.119 CD2 :: 27.000 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 :: 7.667 HA :: 4.348 HB2 :: 0.756 HB3 :: -0.336(S) HG :: 0.268(S) HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.994 HD22 :: 0.994 HD23 :: 0.994 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 :: 130.351 Ave N Shift Values>> N :: 121.86(3.9) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.05 C Shift Assignments>> C :: 176.395 CA :: 54.190 CB :: 41.240 CG :: 27.975 CD1 :: 24.960 CD2 :: 26.000 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 :: 8.385 HA :: 5.059 HB2 :: 1.832 HB3 :: 1.477 HG :: 1.543 HD11 :: 0.682 HD12 :: 0.682 HD13 :: 0.682 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 127.925 Ave N Shift Values>> N :: 121.86(3.9) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 173.620 CA :: 61.563 CB :: 39.350 CG1 :: 27.304 CG2 :: 17.220 CD1 :: 14.242 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 :: 8.991 HA :: 4.168 HB :: 1.864 HG12 :: 1.411 HG13 :: 0.681 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 HD11 :: 0.715 HD12 :: 0.715 HD13 :: 0.715 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 :: 125.353 Ave N Shift Values>> N :: 121.46(4.28) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.24 N 0.12 K 0.07 C 0.05 R 0.05 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 177.281 CA :: 51.650 CB :: 42.040 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.397 HA :: 5.057 HB2 :: 3.275 HB3 :: 2.789 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 :: 126.912 Ave N Shift Values>> N :: 120.65(3.86) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.31 C 0.04 I 0.01 L 0.01 C Shift Assignments>> C :: 178.727 CA :: 54.820 CB :: 19.130 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.021 HA :: 4.319 HB1 :: 1.795 HB2 :: 1.795 HB3 :: 1.795 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.253 Ave N Shift Values>> N :: 123.23(3.54) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.873 CA :: 62.010 CB :: 63.330 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.402 HA :: 4.208 HB2 :: 3.983 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 :: 111.765 Ave N Shift Values>> N :: 116.28(3.52) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.32 E 0.22 Q 0.05 C Shift Assignments>> C :: 176.030 CA :: 56.407 CB :: 32.430 CG :: 35.547 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 :: 7.238 HA :: 4.474 HB2 :: 2.137 HB3 :: 1.925 HG2 :: 2.290 HG3 :: 2.152 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 :: 119.983 Ave N Shift Values>> N :: 120.67(3.48) 1.N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.3 L 0.08 C 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 171.685 CA :: 51.020 CB :: 40.180 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 :: 8.440 HA :: 5.245 HB2 :: 2.649 HB3 :: 2.520 HD21 :: 8.132 HD22 :: 6.627 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 :: 116.806 ND2 :: 113.631 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.382 CA :: 63.853 CB :: 32.247 CG :: 26.759 CD :: 50.475 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 :: 4.564 HB2 :: 2.409 HB3 :: 2.140 HG2 :: 2.072 HG3 :: 1.995 HD2 :: 3.440 HD3 :: 3.880 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.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 K 0.13 Q 0.13 M 0.05 C Shift Assignments>> C :: 174.629 CA :: 53.055 CB :: 29.318 CG :: 35.882 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 :: 7.699 HA :: 5.107 HB2 :: 2.100 HB3 :: 2.061 HG2 :: 2.310 HG3 :: 2.189 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 :: 120.155 Ave N Shift Values>> N :: 120.67(3.48) 1.P133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.798 CA :: 65.684 CB :: 31.833 CG :: 27.273 CD :: 50.908 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 :: 2.546 HB3 :: 1.730 HG2 :: 2.011 HG3 :: 1.951 HD2 :: 3.702 HD3 :: 4.186 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.E134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 E 0.16 Q 0.12 I 0.09 K 0.09 R 0.03 C Shift Assignments>> C :: 178.429 CA :: 57.494 CB :: 26.760 CG :: 35.523 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 :: 10.559(S) HA :: 5.300 HB2 :: 2.024 HB3 :: 1.737 HG2 :: 2.301 HG3 :: 2.166 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.048 Ave N Shift Values>> N :: 120.67(3.48) 1.T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.490 CA :: 64.979 CB :: 69.064 CG2 :: 22.161 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 :: 8.025 HA :: 4.176 HB :: 4.296 HG21 :: 1.390 HG22 :: 1.390 HG23 :: 1.390 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 :: 113.971 Ave N Shift Values>> N :: 115.42(4.75) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.29 M 0.24 Q 0.01 C Shift Assignments>> C :: 178.528 CA :: 56.407 CB :: 32.221 CG :: 36.494 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 :: 7.576 HA :: 4.600 HB2 :: 2.101 HB3 :: 1.948 HG2 :: 2.272 HG3 :: 2.205 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 :: 119.297 Ave N Shift Values>> N :: 120.67(3.48) 1.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.727 CA :: 62.337 CB :: 61.527 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.905 HA :: 4.019 HB2 :: 3.818 HB3 :: 3.386 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 :: 117.339 Ave N Shift Values>> N :: 116.28(3.52) 1.N138 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Q 0.19 K 0.16 M 0.16 E 0.06 V 0.04 R 0.03 H 0.03 W 0.02 Y 0.01 C Shift Assignments>> C :: 175.787 CA :: 57.690 CB :: 34.196 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 :: 8.481 HA :: 4.621 HB2 :: 3.198 HB3 :: 2.772 HD21 :: 6.989 HD22 :: 7.202 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 :: 124.278 ND2 :: 106.372 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 180.133 CA :: 65.698 CB :: 30.591 CG :: 28.307 CD :: 50.220 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 :: 4.469 HB2 :: 2.396 HB3 :: 1.980 HG2 :: 2.239 HG3 :: 2.105 HD2 :: 3.632 HD3 :: 3.509 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.W140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 179.336 CA :: 62.303 CB :: 30.884 CD1 :: 127.681 CD2 :: 127.886 CE3 :: 119.000 CZ3 :: 121.117 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.067 HA :: 4.341 HB2 :: 3.655 HB3 :: 3.334 HD1 :: 7.362 HE1 :: 9.716 HZ3 :: 5.940 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 :: 120.294 NE1 :: 128.731 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 177.493 CA :: 66.720 CB :: 31.420 CG1 :: 22.464 CG2 :: 24.095 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 :: 9.699 HA :: 3.763 HB :: 2.429 HG11 :: 1.134 HG12 :: 1.134 HG13 :: 1.134 HG21 :: 1.346 HG22 :: 1.346 HG23 :: 1.346 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 :: 123.735 Ave N Shift Values>> N :: 121.14(4.54) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.16 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.906 CA :: 59.516 CB :: 29.579 CG :: 36.300 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 :: 8.528 HA :: 3.752 HB2 :: 2.168 HB3 :: 2.068 HG2 :: 2.240 HG3 :: 2.352 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 :: 120.710 Ave N Shift Values>> N :: 120.67(3.48) 1.Q143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.18 W 0.14 I 0.13 K 0.12 E 0.1 Q 0.1 H 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 177.691 CA :: 59.232 CB :: 28.564 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 :: 7.377 HA :: 4.333 HB2 :: 3.220(S) HE22 :: 7.102 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 :: 115.452 NE2 :: 119.000(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 178.191 CA :: 62.853 CB :: 28.564 CD1 :: 127.681 CE3 :: 117.130 CZ2 :: 112.900 CZ3 :: 121.350 CH2 :: 123.220 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 :: 9.263 HA :: 3.355 HB2 :: 2.771 HB3 :: 1.910(S) HD1 :: 6.426 HE1 :: 9.312 HZ2 :: 7.146 HZ3 :: 6.630 HH2 :: 6.730 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 :: 127.610 NE1 :: 127.905 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G145 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 177.335 CA :: 46.801 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.841 HA2 :: 4.598 HA3 :: 3.181 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 129.700(S) Ave N Shift Values>> N :: 109.67(3.87) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.550 CA :: 63.380 CB :: 69.764 CG2 :: 21.289 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.543 HA :: 4.329 HB :: 4.276 HG21 :: 1.366 HG22 :: 1.366 HG23 :: 1.366 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 :: 111.360 Ave N Shift Values>> N :: 115.42(4.75) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 C 0.31 L 0.18 C Shift Assignments>> C :: 177.137 CA :: 54.603 CB :: 41.165 CG :: 25.200 CD1 :: 21.087 CD2 :: 24.874 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 :: 7.471 HA :: 4.070 HB2 :: 1.395 HB3 :: 1.126 HG :: 1.256 HD11 :: 0.507 HD12 :: 0.507 HD13 :: 0.507 HD21 :: 0.580 HD22 :: 0.580 HD23 :: 0.580 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 :: 121.255 Ave N Shift Values>> N :: 121.86(3.9) 1.L148 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.8 C 0.18 C Shift Assignments>> C :: 175.594 CA :: 53.829 CB :: 39.700 CG :: 24.697 CD1 :: 19.798 CD2 :: 24.860 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.483 HA :: 3.726 HB2 :: 1.009 HB3 :: 0.058(S) HG :: -0.672(S) HD11 :: -0.952(S) HD12 :: -0.952(S) HD13 :: -0.952(S) HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 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 :: 117.751 Ave N Shift Values>> N :: 121.86(3.9) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 179.069 CA :: 60.048 CB :: 65.204 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.509 HA :: 4.304 HB2 :: 3.850 HB3 :: 3.797 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 :: 121.588 Ave N Shift Values>> N :: 116.28(3.52) 2.FMN1 Overall Status: Residue type FMN not supported. ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 23 #Anomalous: 3 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 145 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 147 #Suspicious: 2 C Shift Results: #Consistent: 624 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent: 950 #Duplicate: 0 #Unknown: 0 #Suspicious: 28 #Anomalous: 1 N Shift Results: #Consistent: 152 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 2 Error Summary: 1.G5 HA3 = 2.189(S), Expected = 3.90, Std = 0.3700, ChiSquare = 3.7582e-06 1.M11 H = 11.078(S), Expected = 8.26, Std = 0.6000, ChiSquare = 2.6444e-06 1.N14 H = 11.051(S), Expected = 8.34, Std = 0.6300, ChiSquare = 1.6837e-05 1.N14 HD21 = 9.563(S), Expected = 7.35, Std = 0.4800, ChiSquare = 4.0186e-06 1.S15 H = 11.191(S), Expected = 8.28, Std = 0.5900, ChiSquare = 8.0604e-07 1.E21 HB2 = 2.802(S), Expected = 2.02, Std = 0.2100, ChiSquare = 1.9624e-04 1.A33 HA = 5.841(S), Expected = 4.26, Std = 0.4400, ChiSquare = 3.2666e-04 1.K50 HB2 = 2.755(S), Expected = 1.78, Std = 0.2500, ChiSquare = 9.6193e-05 1.T56 HA = 6.170(S), Expected = 4.46, Std = 0.4800, ChiSquare = 3.6734e-04 1.S57 N = 127.922(S), Expected = 116.28, Std = 3.5200, ChiSquare = 9.4171e-04 1.I68 CG1 = 33.589(S), Expected = 27.71, Std = 1.6800, ChiSquare = 4.6630e-04 1.L71 Typing: Mistyped 1.L71 CA = 158.320(A), Expected = 55.62, Std = 2.1300, ChiSquare = 0.0000e+00 1.I75 HG13 = -0.548(S), Expected = 1.19, Std = 0.4100, ChiSquare = 2.2449e-05 1.I75 HD11 = -0.788(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.1473e-07 1.I75 HD12 = -0.788(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.1473e-07 1.I75 HD13 = -0.788(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.1473e-07 1.P83 HD2 = 1.600(S), Expected = 3.65, Std = 0.3500, ChiSquare = 4.7090e-09 1.R86 NE = 113.850(A), Expected = 84.63, Std = 1.6800, ChiSquare = 9.3457e-68 1.Y87 HA = 6.749(A), Expected = 4.63, Std = 0.5600, ChiSquare = 1.5437e-04 1.Y87 SRO Rule Break>> HD1 > HA : 1 1.I90 HG13 = -0.426(S), Expected = 1.19, Std = 0.4100, ChiSquare = 8.0986e-05 1.L92 Typing: Mistyped 1.L92 CG = 32.860(S), Expected = 26.78, Std = 1.1000, ChiSquare = 3.2525e-08 1.G93 HA2 = 5.266(S), Expected = 3.97, Std = 0.3700, ChiSquare = 4.6056e-04 1.S95 HB3 = 2.686(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.6244e-05 1.L110 HG = -0.241(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.1202e-07 1.Q112 NE2 = 117.700(S), Expected = 111.87, Std = 1.7200, ChiSquare = 7.0011e-04 1.R118 NE = 113.682(A), Expected = 84.63, Std = 1.6800, ChiSquare = 5.3246e-67 1.R118 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.L123 HB3 = -0.336(S), Expected = 1.52, Std = 0.3600, ChiSquare = 2.5288e-07 1.L123 HG = 0.268(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.6746e-04 1.E134 H = 10.559(S), Expected = 8.33, Std = 0.5900, ChiSquare = 1.5811e-04 1.N138 Typing: Mistyped 1.Q143 HB2 = 3.220(S), Expected = 2.05, Std = 0.2500, ChiSquare = 2.8687e-06 1.Q143 NE2 = 119.000(S), Expected = 111.87, Std = 1.7200, ChiSquare = 3.3930e-05 1.W144 HB3 = 1.910(S), Expected = 3.12, Std = 0.3600, ChiSquare = 7.7630e-04 1.G145 N = 129.700(S), Expected = 109.67, Std = 3.8700, ChiSquare = 2.2705e-07 1.L148 HB3 = 0.058(S), Expected = 1.52, Std = 0.3600, ChiSquare = 4.8840e-05 1.L148 HG = -0.672(S), Expected = 1.51, Std = 0.3300, ChiSquare = 3.7885e-11 1.L148 HD11 = -0.952(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.2126e-09 1.L148 HD12 = -0.952(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.2126e-09 1.L148 HD13 = -0.952(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.2126e-09