Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.082 CA :: 58.270 CB :: 63.832 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.512 HB2 :: 3.845 HB3 :: 3.845 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 C 0.3 Q 0.09 C Shift Assignments>> CA :: 53.568 CB :: 32.422 CG :: 32.138 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 :: 8.483 HA :: 4.806 HB2 :: 2.045 HB3 :: 1.964 HG2 :: 2.630 HG3 :: 2.566 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 :: 123.596 Ave N Shift Values>> N :: 120.09(3.57) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.438 CA :: 63.292 CB :: 32.038 CG :: 27.458 CD :: 50.669 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 :: 4.423 HB2 :: 2.262 HB3 :: 1.834 HG2 :: 1.994 HG3 :: 1.994 HD2 :: 3.832 HD3 :: 3.668 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.149 Ave N Shift Values>> N :: 134.16(6.62) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.097 CA :: 61.760 CB :: 69.286 CG2 :: 21.324 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 :: 8.022 HA :: 3.922 HB :: 3.391 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.732 Ave N Shift Values>> N :: 115.42(4.75) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 172.807 CA :: 60.875 CB :: 70.856 CG2 :: 21.533 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 :: 7.925 HA :: 4.486 HB :: 4.093 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 117.908 Ave N Shift Values>> N :: 115.42(4.75) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.2 W 0.12 R 0.07 K 0.06 E 0.06 H 0.05 P 0.05 M 0.04 Q 0.02 I 0.02 C Shift Assignments>> C :: 176.497 CA :: 60.531 CB :: 31.561 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.090 HA :: 4.610 HB2 :: 3.395 HB3 :: 3.111 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 :: 126.510 Ave N Shift Values>> N :: 120.17(4.64) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.070 CA :: 45.487 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.887 HA2 :: 4.568 HA3 :: 3.605 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.249 Ave N Shift Values>> N :: 109.67(3.87) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.23 C Shift Assignments>> CA :: 57.982 CB :: 41.647 CD1 :: 131.169 CD2 :: 131.169 CE1 :: 130.842 CE2 :: 130.842 CZ :: 129.748 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 :: 10.079 HA :: 4.040 HB2 :: 3.166 HB3 :: 2.403 HD1 :: 6.646 HD2 :: 6.646 HE1 :: 6.895 HE2 :: 6.895 HZ :: 6.972 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 131.026 Ave N Shift Values>> N :: 120.45(4.18) 1.P10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.298 CA :: 63.928 CB :: 31.337 CG :: 27.706 CD :: 50.059 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 :: 4.135 HB2 :: 2.064 HB3 :: 1.747 HG2 :: 1.642 HG3 :: 1.642 HD2 :: 3.327 HD3 :: 1.845(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 114.146 Ave N Shift Values>> N :: 134.16(6.62) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.16 Y 0.1 F 0.08 D 0.07 E 0.06 M 0.03 L 0.02 C Shift Assignments>> C :: 174.216 CA :: 54.086 CB :: 37.737 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.086 HA :: 4.296 HB2 :: 2.971 HB3 :: 2.801 HD21 :: 7.622 HD22 :: 6.939 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 :: 118.105 ND2 :: 114.329 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.17 I 0.16 W 0.12 P 0.11 E 0.04 R 0.04 H 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 178.495 CA :: 61.844 CB :: 30.198 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.550 HA :: 4.381 HB2 :: 3.601 HB3 :: 3.142 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 :: 119.466 Ave N Shift Values>> N :: 120.17(4.64) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.42 R 0.07 C Shift Assignments>> C :: 177.003 CA :: 57.329 CB :: 31.976 CG :: 23.421 CD :: 29.205 CE :: 41.479 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 :: 8.929 HA :: 4.297 HB2 :: 1.492 HB3 :: 1.374 HG2 :: 1.095 HG3 :: 0.734 HD2 :: 1.435 HD3 :: 1.435 HE2 :: 2.781 HE3 :: 2.781 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 :: 130.461 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 175.748 CA :: 59.794 CB :: 39.169 CD1 :: 131.995 CD2 :: 131.995 CE1 :: 131.842 CE2 :: 131.842 CZ :: 129.748 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 :: 8.950 HA :: 4.336 HB2 :: 3.179 HB3 :: 2.696 HD1 :: 7.094 HD2 :: 7.094 HE1 :: 7.259 HE2 :: 7.259 HZ :: 7.136 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 :: 122.925 Ave N Shift Values>> N :: 120.45(4.18) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.44 G 0.07 K 0.03 C Shift Assignments>> C :: 177.755 CA :: 58.699 CB :: 30.427 CG :: 27.193 CD :: 43.482 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 :: 7.816 HA :: 4.353 HB2 :: 2.116 HB3 :: 2.009 HG2 :: 1.870 HG3 :: 1.870 HD2 :: 3.383 HD3 :: 3.383 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.967 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.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.264 CA :: 59.477 CB :: 63.236 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.311 HA :: 4.412 HB2 :: 3.925 HB3 :: 3.925 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 :: 113.911 Ave N Shift Values>> N :: 116.28(3.52) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.41 G 0.08 K 0.03 C Shift Assignments>> C :: 176.144 CA :: 57.012 CB :: 30.413 CG :: 26.818 CD :: 43.572 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 :: 7.839 HA :: 4.192 HB2 :: 1.666 HB3 :: 1.666 HG2 :: 1.455 HG3 :: 1.455 HD2 :: 3.074 HD3 :: 3.074 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.558 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.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 175.321 CA :: 57.855 CB :: 38.794 CD1 :: 133.541 CD2 :: 133.541 CE1 :: 118.036 CE2 :: 118.036 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 :: 7.883 HA :: 4.594 HB2 :: 3.168 HB3 :: 2.803 HD1 :: 7.155 HD2 :: 7.155 HE1 :: 6.789 HE2 :: 6.789 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 :: 118.429 Ave N Shift Values>> N :: 120.52(4.2) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.4 G 0.05 K 0.05 C Shift Assignments>> C :: 176.855 CA :: 56.983 CB :: 30.176 CG :: 26.945 CD :: 43.277 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 :: 8.038 HA :: 4.300 HB2 :: 1.880 HB3 :: 1.799 HG2 :: 1.648 HG3 :: 1.602 HD2 :: 3.226 HD3 :: 3.226 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.532 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.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.888 CA :: 45.514 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.472 HA2 :: 4.060 HA3 :: 3.856 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.668 Ave N Shift Values>> N :: 109.67(3.87) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.22 G 0.07 R 0.06 A 0.02 C Shift Assignments>> C :: 176.993 CA :: 54.776 CB :: 43.236 CG :: 26.862 CD1 :: 25.240 CD2 :: 23.321 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 :: 8.073 HA :: 4.499 HB2 :: 1.658 HB3 :: 1.658 HG :: 1.616 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.895 HD22 :: 0.895 HD23 :: 0.895 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 :: 121.882 Ave N Shift Values>> N :: 121.86(3.9) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 K 0.07 M 0.06 Q 0.04 I 0.04 C Shift Assignments>> C :: 175.662 CA :: 56.787 CB :: 29.986 CG :: 36.425 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 :: 8.349 HA :: 4.240 HB2 :: 2.034 HB3 :: 1.989 HG2 :: 2.241 HG3 :: 2.241 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 :: 120.088 Ave N Shift Values>> N :: 120.67(3.48) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.13 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.864 CA :: 53.792 CB :: 41.153 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 :: 8.298 HA :: 4.461 HB2 :: 2.935 HB3 :: 2.542 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 :: 122.800 Ave N Shift Values>> N :: 120.65(3.86) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.12 C 0.1 Y 0.05 F 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 175.659 CA :: 52.556 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 :: 8.124 HA :: 4.771 HB2 :: 2.810 HB3 :: 2.810 HD21 :: 7.533 HD22 :: 6.915 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 :: 122.854 ND2 :: 112.296 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.39 G 0.14 K 0.02 HN Overlap>> 1.D72 1.D72 C Shift Assignments>> C :: 175.850 CA :: 57.019 CB :: 31.076 CG :: 26.373 CD :: 43.978 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 :: 7.759 HA :: 3.787 HB2 :: 1.563 HB3 :: 1.275 HG2 :: 1.468 HG3 :: 1.325 HD2 :: 3.128 HD3 :: 2.984 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.721 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.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 W 0.34 C 0.21 C Shift Assignments>> C :: 172.761 CA :: 53.936 CB :: 30.941 CD2 :: 119.908 CE1 :: 137.680 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.080 HA :: 4.709 HB2 :: 2.892 HB3 :: 2.626 HD2 :: 6.879 HE1 :: 8.260 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 :: 117.888 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.22 HN Overlap>> 1.Q55 1.Q55 C Shift Assignments>> C :: 174.991 CA :: 57.577 CB :: 41.875 CD1 :: 131.144 CD2 :: 131.144 CE1 :: 131.337 CE2 :: 131.337 CZ :: 129.475 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 :: 8.384 HA :: 4.648 HB2 :: 2.833 HB3 :: 2.571 HD1 :: 6.876 HD2 :: 6.876 HE1 :: 7.081 HE2 :: 7.081 HZ :: 7.168 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 :: 117.896 Ave N Shift Values>> N :: 120.45(4.18) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 176.554 CA :: 57.081 CB :: 41.097 CD1 :: 133.261 CD2 :: 133.261 CE1 :: 118.264 CE2 :: 118.264 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 :: 9.321 HA :: 5.082 HB2 :: 3.488 HB3 :: 3.041 HD1 :: 7.216 HD2 :: 7.216 HE1 :: 6.483 HE2 :: 6.483 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 :: 122.954 Ave N Shift Values>> N :: 120.52(4.2) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.34 K 0.12 G 0.07 C Shift Assignments>> C :: 175.418 CA :: 55.566 CB :: 31.394 CG :: 28.014 CD :: 43.426 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 :: 8.813 HA :: 4.561 HB2 :: 1.901 HB3 :: 1.628 HG2 :: 1.765 HG3 :: 1.630 HD2 :: 3.226 HD3 :: 3.226 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.278 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.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.48 C Shift Assignments>> C :: 174.616 CA :: 58.562 CB :: 37.202 CG1 :: 28.521 CG2 :: 17.089 CD1 :: 13.186 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 :: 8.701 HA :: 3.842 HB :: 1.813 HG12 :: 1.657 HG13 :: 1.507 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 HD11 :: 1.009 HD12 :: 1.009 HD13 :: 1.009 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.766 Ave N Shift Values>> N :: 121.46(4.28) 1.P31 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.576 CA :: 63.084 CB :: 32.082 CG :: 26.970 CD :: 49.782 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 :: 4.048 HB2 :: 2.019 HB3 :: 1.186 HG2 :: 0.985 HG3 :: 0.718(S) HD2 :: 2.034(S) HD3 :: 1.843(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 109.672(A) Ave N Shift Values>> N :: 134.16(6.62) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.43 R 0.12 C Shift Assignments>> C :: 175.902 CA :: 57.840 CB :: 33.815 CG :: 25.473 CD :: 29.170 CE :: 41.920 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 :: 8.648 HA :: 4.119 HB2 :: 1.760 HB3 :: 1.760 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 :: 120.962 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.29 K 0.14 G 0.09 C Shift Assignments>> C :: 172.870 CA :: 52.938 CB :: 32.081 CG :: 26.325 CD :: 43.029 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 :: 7.477 HA :: 4.203 HB2 :: 1.825 HB3 :: 1.659 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 3.176 HD3 :: 3.176 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 :: 113.697 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.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 P 0.1 C Shift Assignments>> C :: 177.170 CA :: 62.048 CB :: 34.746 CG :: 25.483 CD :: 50.158 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 :: 4.716 HB2 :: 2.660 HB3 :: 2.215 HG2 :: 2.086 HG3 :: 1.764 HD2 :: 3.650 HD3 :: 3.535 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 131.135 Ave N Shift Values>> N :: 134.16(6.62) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.35 K 0.17 C Shift Assignments>> C :: 178.993 CA :: 59.128 CB :: 41.071 CG :: 27.097 CD1 :: 24.140 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 :: 9.093 HA :: 4.045 HB2 :: 1.744 HB3 :: 1.744 HG :: 1.659 HD11 :: 1.001 HD12 :: 1.001 HD13 :: 1.001 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 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 :: 126.843 Ave N Shift Values>> N :: 121.86(3.9) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 176.422 CA :: 63.266 CB :: 37.569 CG1 :: 28.540 CG2 :: 17.546 CD1 :: 13.822 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 :: 8.628 HA :: 4.156 HB :: 1.904 HG12 :: 1.491 HG13 :: 1.305 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.808 Ave N Shift Values>> N :: 121.46(4.28) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.36 R 0.18 G 0.06 C Shift Assignments>> C :: 177.898 CA :: 57.394 CB :: 43.167 CG :: 26.878 CD1 :: 23.952 CD2 :: 26.608 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 :: 6.596 HA :: 4.191 HB2 :: 1.926 HB3 :: 1.337 HG :: 1.381 HD11 :: 1.145 HD12 :: 1.145 HD13 :: 1.145 HD21 :: 1.018 HD22 :: 1.018 HD23 :: 1.018 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 :: 121.845 Ave N Shift Values>> N :: 121.86(3.9) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 R 0.25 G 0.11 K 0.04 C Shift Assignments>> C :: 177.969 CA :: 60.693 CB :: 29.641 CG :: 28.749 CD :: 43.327 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 :: 7.523 HA :: 3.484 HB2 :: 1.827 HB3 :: 1.375 HG2 :: 1.514 HG3 :: 1.321 HD2 :: 3.185 HD3 :: 2.987 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.991 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.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.22 K 0.22 E 0.06 R 0.06 I 0.04 M 0.01 C Shift Assignments>> C :: 179.120 CA :: 59.349 CB :: 28.255 CG :: 34.018 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 :: 8.821 HA :: 3.992 HB2 :: 2.325 HB3 :: 2.122 HG2 :: 2.574 HG3 :: 2.448 HE21 :: 7.429 HE22 :: 6.823 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 :: 116.443 NE2 :: 111.383 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.3 K 0.14 L 0.01 C Shift Assignments>> C :: 180.732 CA :: 57.835 CB :: 29.548 CG :: 27.491 CD :: 41.744 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 :: 8.060 HA :: 4.346 HB2 :: 2.266 HB3 :: 2.059 HG2 :: 2.010 HG3 :: 1.882 HD2 :: 3.326 HD3 :: 3.326 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.261 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.W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> C :: 177.689 CA :: 63.672 CB :: 28.018 CD1 :: 125.983 CE3 :: 119.566 CZ2 :: 114.830 CZ3 :: 122.070 CH2 :: 124.639 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.883 HA :: 4.133 HB2 :: 3.579 HB3 :: 3.117 HD1 :: 7.602 HE1 :: 10.349 HE3 :: 7.522 HZ2 :: 7.439 HZ3 :: 7.021 HH2 :: 6.950 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.494 NE1 :: 129.664 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.42 C Shift Assignments>> C :: 179.217 CA :: 58.725 CB :: 39.699 CG :: 26.616 CD1 :: 25.805 CD2 :: 23.579 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 :: 8.602 HA :: 3.903 HB2 :: 1.989 HB3 :: 1.475 HG :: 1.849 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 HD21 :: 0.635 HD22 :: 0.635 HD23 :: 0.635 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.189 Ave N Shift Values>> N :: 121.86(3.9) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.472 CA :: 66.439 CB :: 68.961 CG2 :: 21.971 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 :: 8.359 HA :: 4.044 HB :: 4.205 HG21 :: 1.290 HG22 :: 1.290 HG23 :: 1.290 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.072 Ave N Shift Values>> N :: 115.42(4.75) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.39 C 0.03 I 0.02 C Shift Assignments>> C :: 178.687 CA :: 54.834 CB :: 18.715 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.862 HA :: 4.141 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.248 Ave N Shift Values>> N :: 123.23(3.54) 1.I45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 175.011 CA :: 59.898 CB :: 37.878 CG1 :: 25.293 CG2 :: 16.767 CD1 :: 15.363 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 :: 7.571 HA :: 3.862 HB :: 2.054 HG12 :: 1.934 HG13 :: 1.205 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 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 :: 106.427(S) Ave N Shift Values>> N :: 121.46(4.28) 1.G46 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 :: 174.839 CA :: 46.820 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.699 HA2 :: 3.929 HA3 :: 3.870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.276 Ave N Shift Values>> N :: 109.67(3.87) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.26 K 0.17 G 0.1 C Shift Assignments>> C :: 174.067 CA :: 53.500 CB :: 34.312 CG :: 27.407 CD :: 42.997 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 :: 8.132 HA :: 4.825 HB2 :: 1.918 HB3 :: 1.352 HG2 :: 1.585 HG3 :: 1.505 HD2 :: 3.233 HD3 :: 2.966 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.191 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.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.32 C Shift Assignments>> C :: 175.117 CA :: 59.634 CB :: 72.163 CG2 :: 21.469 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 :: 7.755 HA :: 4.603 HB :: 4.601 HG21 :: 1.158 HG22 :: 1.158 HG23 :: 1.158 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.186 Ave N Shift Values>> N :: 115.42(4.75) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.2 K 0.2 E 0.19 I 0.05 M 0.01 R 0.01 C Shift Assignments>> C :: 177.725 CA :: 58.773 CB :: 29.042 CG :: 34.782 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 :: 8.929 HA :: 4.136 HB2 :: 2.068 HB3 :: 1.917 HG2 :: 2.335 HG3 :: 2.335 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 :: 120.462 Ave N Shift Values>> N :: 120.67(3.48) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.38 I 0.1 M 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.765 CA :: 58.335 CB :: 30.167 CG :: 36.986 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 :: 8.186 HA :: 4.281 HB2 :: 2.100 HB3 :: 2.007 HG2 :: 2.361 HG3 :: 2.276 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 :: 115.969 Ave N Shift Values>> N :: 120.67(3.48) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.419 CA :: 61.631 CB :: 69.602 CG2 :: 22.240 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 :: 7.788 HA :: 4.502 HB :: 4.562 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 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 :: 108.808 Ave N Shift Values>> N :: 115.42(4.75) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 174.450 CA :: 63.281 CB :: 32.210 CG1 :: 22.301 CG2 :: 21.472 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 :: 7.663 HA :: 4.051 HB :: 2.124 HG11 :: 0.991 HG12 :: 0.991 HG13 :: 0.991 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.672 Ave N Shift Values>> N :: 121.14(4.54) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> CA :: 60.501 CB :: 33.939 CG1 :: 21.958 CG2 :: 19.517 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 :: 6.906 HA :: 4.599 HB :: 2.430 HG11 :: 0.988 HG12 :: 0.988 HG13 :: 0.988 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 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 :: 117.279 Ave N Shift Values>> N :: 121.14(4.54) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.610 CA :: 61.037 CB :: 62.995 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.253 HB2 :: 3.975 HB3 :: 3.975 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.27 K 0.24 R 0.12 E 0.03 M 0.02 HN Overlap>> 1.F27 1.F27 C Shift Assignments>> C :: 175.474 CA :: 56.461 CB :: 27.916 CG :: 33.643 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 :: 8.435 HA :: 4.256 HB2 :: 2.207 HB3 :: 2.069 HG2 :: 2.428 HG3 :: 2.428 HE21 :: 7.539 HE22 :: 6.879 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 :: 117.799 NE2 :: 112.244 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.27 K 0.13 R 0.11 G 0.05 C Shift Assignments>> C :: 177.118 CA :: 56.300 CB :: 43.233 CG :: 27.450 CD1 :: 25.478 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 :: 7.350 HA :: 4.295 HB2 :: 1.808 HB3 :: 1.659 HG :: 1.792 HD11 :: 1.062 HD12 :: 1.062 HD13 :: 1.062 HD21 :: 0.982 HD22 :: 0.982 HD23 :: 0.982 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 :: 121.827 Ave N Shift Values>> N :: 121.86(3.9) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 G 0.17 K 0.11 R 0.11 C Shift Assignments>> C :: 174.515 CA :: 53.186 CB :: 35.428 CG :: 26.606 CD :: 43.002 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.115 HA :: 5.348 HB2 :: 1.931 HB3 :: 1.695 HG2 :: 1.747 HG3 :: 1.546 HD2 :: 3.290 HD3 :: 2.756 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.125 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.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.36 A 0.05 C Shift Assignments>> C :: 175.864 CA :: 57.701 CB :: 39.712 CG1 :: 27.903 CG2 :: 18.650 CD1 :: 11.331 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 :: 9.648 HA :: 5.364 HB :: 2.480 HG12 :: 1.881 HG13 :: 1.679 HG21 :: 1.255 HG22 :: 1.255 HG23 :: 1.255 HD11 :: 1.045 HD12 :: 1.045 HD13 :: 1.045 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.313 Ave N Shift Values>> N :: 121.46(4.28) 1.C59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.23 K 0.13 V 0.11 W 0.11 R 0.1 M 0.09 H 0.08 E 0.07 Q 0.04 C Shift Assignments>> C :: 175.613 CA :: 59.155 CB :: 32.187 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.739(S) HA :: 4.950 HB2 :: 2.842 HB3 :: 2.533 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 :: 134.055 Ave N Shift Values>> N :: 120.17(4.64) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.937 CA :: 60.209 CB :: 62.136 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.990 HA :: 4.236 HB2 :: 4.374 HB3 :: 3.317 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 :: 110.566 Ave N Shift Values>> N :: 116.28(3.52) 1.A61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.68 M 0.3 C 0.01 C Shift Assignments>> C :: 176.066 CA :: 52.640 CB :: 17.382 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.804 HA :: 3.900 HB1 :: 0.139(S) HB2 :: 0.139(S) HB3 :: 0.139(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.843 Ave N Shift Values>> N :: 123.23(3.54) 1.H62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 W 0.04 H 0.01 C Shift Assignments>> C :: 171.005 CA :: 55.732 CB :: 28.285 CD2 :: 132.368(S) CE1 :: 139.429 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 :: 6.360 HA :: 3.968 HB2 :: 3.116 HB3 :: 1.869 HD1 :: 10.203 HD2 :: 7.947 HE1 :: 8.182 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 :: 111.679 ND1 :: 163.172 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.3 C 0.15 C Shift Assignments>> C :: 175.479 CA :: 55.544 CB :: 41.513 CD1 :: 133.010 CD2 :: 133.010 CZ :: 128.689 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 :: 7.047 HA :: 5.041 HB2 :: 2.940 HB3 :: 2.406 HD1 :: 7.291 HD2 :: 7.291 HZ :: 6.720 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 :: 115.508 Ave N Shift Values>> N :: 120.45(4.18) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 K 0.09 I 0.09 Q 0.05 M 0.02 C Shift Assignments>> C :: 177.438 CA :: 58.096 CB :: 29.438 CG :: 36.186 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 :: 9.420 HA :: 3.924 HB2 :: 2.153 HB3 :: 2.153 HG2 :: 2.346 HG3 :: 2.228 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 :: 128.482 Ave N Shift Values>> N :: 120.67(3.48) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.874 CA :: 45.556 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.985 HA2 :: 4.158 HA3 :: 3.766 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.660 Ave N Shift Values>> N :: 109.67(3.87) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.316 CA :: 45.850 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.514 HA2 :: 4.075 HA3 :: 3.912 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.710 Ave N Shift Values>> N :: 109.67(3.87) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.36 E 0.19 Q 0.03 C Shift Assignments>> C :: 173.547 CA :: 54.729 CB :: 32.621 CG :: 35.854 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.977 HA :: 4.599 HB2 :: 1.860 HB3 :: 1.763 HG2 :: 2.142 HG3 :: 2.061 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.482 Ave N Shift Values>> N :: 120.67(3.48) 1.K68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 K 0.28 A 0.02 R 0.02 C Shift Assignments>> C :: 175.554 CA :: 55.843 CB :: 32.426 CG :: 23.104 CD :: 28.447 CE :: 40.533 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 :: 7.225 HA :: 3.847 HB2 :: 0.125(S) HB3 :: 0.056(S) HG2 :: 0.729 HG3 :: 0.670 HD2 :: 1.357 HD3 :: 0.357(S) HE2 :: 2.678 HE3 :: 2.143(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.015 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.3 R 0.13 C Shift Assignments>> C :: 177.630 CA :: 54.452 CB :: 32.836 CG :: 24.977 CD :: 28.574 CE :: 41.948 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.288 HA :: 4.516 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 1.526 HG3 :: 1.465 HD2 :: 1.707 HD3 :: 1.707 HE2 :: 3.057 HE3 :: 2.994 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.384 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.13 K 0.09 Q 0.06 M 0.01 C Shift Assignments>> C :: 177.729 CA :: 59.121 CB :: 29.318 CG :: 35.949 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 :: 8.565 HA :: 3.951 HB2 :: 1.961 HB3 :: 1.961 HG2 :: 2.264 HG3 :: 2.264 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 :: 121.481 Ave N Shift Values>> N :: 120.67(3.48) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.533 CA :: 45.098 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.698 HA2 :: 4.307 HA3 :: 3.884 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.489 Ave N Shift Values>> N :: 109.67(3.87) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.29 D 0.1 K 0.08 F 0.07 C 0.05 Y 0.04 G 0.03 HN Overlap>> 1.R25 1.R25 C Shift Assignments>> C :: 177.094 CA :: 55.832 CB :: 43.182 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 :: 7.759 HA :: 4.926 HB2 :: 2.928 HB3 :: 2.804 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.733 Ave N Shift Values>> N :: 120.65(3.86) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.32 A 0.1 C Shift Assignments>> C :: 172.138 CA :: 56.706 CB :: 40.566 CG1 :: 28.514 CG2 :: 17.397 CD1 :: 14.625 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 :: 8.242 HA :: 4.055 HB :: 1.543 HG12 :: 1.551 HG13 :: 1.242 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.268 Ave N Shift Values>> N :: 121.46(4.28) 1.P74 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.78 P 0.13 G 0.07 C Shift Assignments>> C :: 174.538 CA :: 61.745 CB :: 31.802 CG :: 26.325 CD :: 47.890 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.098(S) HB2 :: 1.222 HB3 :: 1.222 HG2 :: 1.533 HG3 :: 0.894 HD2 :: 2.402(S) HD3 :: 1.393(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.561 Ave N Shift Values>> N :: 134.16(6.62) SRO Rule Breaks>> (HD3 > HG2 : 0.9928) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 A 0.04 V 0.04 C Shift Assignments>> C :: 173.974 CA :: 57.617 CB :: 32.175 CG1 :: 21.187 CG2 :: 17.282 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 :: 7.945 HA :: 4.827 HB :: 2.091 HG11 :: 0.958 HG12 :: 0.958 HG13 :: 0.958 HG21 :: 0.487 HG22 :: 0.487 HG23 :: 0.487 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 :: 112.375 Ave N Shift Values>> N :: 121.14(4.54) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 178.400 CA :: 67.132 CB :: 30.922 CG :: 28.009 CD :: 50.642 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.797 HB2 :: 2.502 HB3 :: 2.226 HG2 :: 2.338 HG3 :: 2.233 HD2 :: 3.915 HD3 :: 3.708 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.387 Ave N Shift Values>> N :: 134.16(6.62) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.18 K 0.06 C 0.06 F 0.03 R 0.02 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.214 CA :: 51.253 CB :: 41.692 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.277 HA :: 5.038 HB2 :: 2.899 HB3 :: 2.503 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 :: 109.940 Ave N Shift Values>> N :: 120.65(3.86) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.583 CA :: 64.378 CB :: 31.568 CG :: 26.617 CD :: 51.954 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 :: 4.794 HB2 :: 2.003 HB3 :: 1.903 HG2 :: 1.719 HG3 :: 1.496 HD2 :: 3.955 HD3 :: 3.401 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.149 Ave N Shift Values>> N :: 134.16(6.62) 1.T79 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 :: 175.082 CA :: 64.705 CB :: 69.040 CG2 :: 22.022 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.324 HA :: 4.212 HB :: 4.210 HG21 :: 1.293 HG22 :: 1.293 HG23 :: 1.293 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.287 Ave N Shift Values>> N :: 115.42(4.75) 1.V80 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 :: 175.064 CA :: 62.767 CB :: 34.438 CG1 :: 21.420 CG2 :: 20.024 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 :: 7.562 HA :: 4.227 HB :: 2.029 HG11 :: 0.883 HG12 :: 0.883 HG13 :: 0.883 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 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 :: 117.497 Ave N Shift Values>> N :: 121.14(4.54) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.21 R 0.16 K 0.13 F 0.05 C 0.04 Y 0.03 N 0.02 G 0.01 C Shift Assignments>> C :: 174.601 CA :: 54.280 CB :: 42.538 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 :: 8.623 HA :: 4.649 HB2 :: 2.539 HB3 :: 2.217 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 :: 123.314 Ave N Shift Values>> N :: 120.65(3.86) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.36 R 0.14 C Shift Assignments>> C :: 176.606 CA :: 55.871 CB :: 32.493 CG :: 24.710 CD :: 29.024 CE :: 42.070 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 :: 8.115 HA :: 4.115 HB2 :: 1.729 HB3 :: 1.729 HG2 :: 1.465 HG3 :: 1.411 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 2.996 HE3 :: 2.996 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.621 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.25 K 0.24 E 0.09 M 0.08 R 0.01 C Shift Assignments>> C :: 175.500 CA :: 56.645 CB :: 29.665 CG :: 33.935 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 :: 8.553 HA :: 3.877 HB2 :: 2.171 HB3 :: 2.000 HG2 :: 2.466 HG3 :: 2.121 HE21 :: 7.702 HE22 :: 6.675 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 :: 123.021 NE2 :: 114.512 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> C :: 174.949 CA :: 60.810 CB :: 39.372 CG1 :: 26.889 CG2 :: 17.884 CD1 :: 13.252 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.945 HA :: 4.293 HB :: 1.622 HG12 :: 1.554 HG13 :: 1.087 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 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 :: 126.793 Ave N Shift Values>> N :: 121.46(4.28) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.45 R 0.03 A 0.01 C Shift Assignments>> C :: 175.980 CA :: 55.099 CB :: 35.530 CG :: 24.109 CD :: 29.268 CE :: 41.896 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 :: 8.361 HA :: 5.049 HB2 :: 1.898 HB3 :: 1.635 HG2 :: 1.520 HG3 :: 1.256 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.991 HE3 :: 2.891 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.305 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.129 CA :: 59.704 CB :: 40.193 CG1 :: 26.328 CG2 :: 17.945 CD1 :: 14.169 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 :: 8.541 HA :: 4.498 HB :: 1.920 HG12 :: 1.405 HG13 :: 1.216 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.361 Ave N Shift Values>> N :: 121.46(4.28) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.34 M 0.09 K 0.05 Q 0.04 I 0.02 C Shift Assignments>> C :: 175.705 CA :: 55.948 CB :: 30.181 CG :: 36.511 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 :: 8.377 HA :: 4.312 HB2 :: 1.966 HB3 :: 1.902 HG2 :: 2.257 HG3 :: 2.195 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 :: 123.997 Ave N Shift Values>> N :: 120.67(3.48) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 C 0.15 A 0.04 C Shift Assignments>> C :: 174.492 CA :: 52.529 CB :: 41.319 CG :: 27.117 CD1 :: 25.489 CD2 :: 23.597 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 :: 8.448 HA :: 4.651 HB2 :: 1.633 HB3 :: 1.520 HG :: 1.704 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 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 :: 126.209 Ave N Shift Values>> N :: 121.86(3.9) 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 C 0.47 C Shift Assignments>> CA :: 61.398 CB :: 30.961 CG :: 27.411 CD :: 50.394 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 :: 4.740 HB2 :: 2.391 HB3 :: 1.959 HG2 :: 2.087 HG3 :: 2.087 HD2 :: 3.831 HD3 :: 3.620 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.843 Ave N Shift Values>> N :: 134.16(6.62) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.004 CA :: 63.303 CB :: 32.036 CG :: 27.351 CD :: 50.330 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 :: 4.422 HB2 :: 2.298 HB3 :: 1.971 HG2 :: 2.047 HG3 :: 2.047 HD2 :: 3.831 HD3 :: 3.684 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.132 Ave N Shift Values>> N :: 134.16(6.62) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Q 0.19 K 0.18 M 0.16 V 0.05 R 0.04 H 0.04 W 0.03 E 0.03 C Shift Assignments>> CA :: 57.852 CB :: 33.830 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.845 HA :: 4.107 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.895 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 83 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 90 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 90 #Suspicious: 1 C Shift Results: #Consistent: 411 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 626 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 0 N Shift Results: #Consistent: 93 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.P10 HD3 = 1.845(S), Expected = 3.61, Std = 0.3900, ChiSquare = 6.0213e-06 1.P31 HG3 = 0.718(S), Expected = 1.90, Std = 0.3300, ChiSquare = 3.4121e-04 1.P31 HD2 = 2.034(S), Expected = 3.65, Std = 0.3500, ChiSquare = 3.8906e-06 1.P31 HD3 = 1.843(S), Expected = 3.61, Std = 0.3900, ChiSquare = 5.8769e-06 1.P31 N = 109.672(A), Expected = 134.16, Std = 6.6200, ChiSquare = 2.1637e-04 1.I45 N = 106.427(S), Expected = 121.46, Std = 4.2800, ChiSquare = 4.4411e-04 1.C59 H = 10.739(S), Expected = 8.39, Std = 0.6700, ChiSquare = 4.5495e-04 1.A61 HB1 = 0.139(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.1977e-06 1.A61 HB2 = 0.139(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.1977e-06 1.A61 HB3 = 0.139(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.1977e-06 1.H62 CD2 = 132.368(S), Expected = 120.49, Std = 3.4200, ChiSquare = 5.1448e-04 1.K68 HB2 = 0.125(S), Expected = 1.78, Std = 0.2500, ChiSquare = 3.5920e-11 1.K68 HB3 = 0.056(S), Expected = 1.74, Std = 0.2700, ChiSquare = 4.4594e-10 1.K68 HD3 = 0.357(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.6045e-08 1.K68 HE3 = 2.143(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.2556e-04 1.P74 HA = 3.098(S), Expected = 4.40, Std = 0.3300, ChiSquare = 7.9649e-05 1.P74 HD2 = 2.402(S), Expected = 3.65, Std = 0.3500, ChiSquare = 3.6287e-04 1.P74 HD3 = 1.393(S), Expected = 3.61, Std = 0.3900, ChiSquare = 1.3111e-08 1.P74 SRO Rule Break>> HD3 > HG2 : 0.992802519118309