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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.094 CA :: 63.038 CB :: 31.937 CG :: 27.169 CD :: 49.776 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.474 HB2 :: 1.883 HB3 :: 2.243 HG2 :: 1.994 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T9 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 :: 172.894 CA :: 59.999 CB :: 69.767 CG2 :: 21.566 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.355 HA :: 4.536 HB :: 4.098 HG21 :: 1.240 HG22 :: 1.240 HG23 :: 1.240 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.875 Ave N Shift Values>> N :: 115.7(5.05) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.833 CA :: 63.178 CB :: 32.102 CG :: 27.558 CD :: 51.138 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.389 HB2 :: 1.857 HB3 :: 2.283 HG2 :: 2.005 HG3 :: 1.953 HD2 :: 3.846 HD3 :: 3.667 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 176.856 CA :: 56.434 CB :: 32.988 CG :: 24.923 CD :: 29.119 CE :: 42.131 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.474 HA :: 4.303 HB2 :: 1.817 HB3 :: 1.754 HG2 :: 1.450 HG3 :: 1.394 HD2 :: 1.658 HD3 :: 1.658 HE2 :: 2.943 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.196 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.F84 1.F84 C Shift Assignments>> C :: 174.410 CA :: 61.984 CB :: 69.731 CG2 :: 21.698 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.159 HA :: 4.262 HB :: 4.147 HG21 :: 1.158 HG22 :: 1.158 HG23 :: 1.158 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.686 Ave N Shift Values>> N :: 115.7(5.05) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 M 0.1 K 0.09 Q 0.06 I 0.03 C Shift Assignments>> C :: 175.916 CA :: 56.259 CB :: 30.211 CG :: 36.130 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.418 HA :: 4.298 HB2 :: 2.016 HB3 :: 1.862 HG2 :: 2.204 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.510 Ave N Shift Values>> N :: 120.68(3.68) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 R 0.06 G 0.01 A 0.01 C Shift Assignments>> C :: 176.592 CA :: 55.240 CB :: 42.295 CG :: 27.054 CD1 :: 24.748 CD2 :: 23.728 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.270 HA :: 4.315 HB2 :: 1.570 HB3 :: 1.570 HG :: 1.529 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.831 Ave N Shift Values>> N :: 121.98(4.07) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.E75 1.E75 C Shift Assignments>> C :: 175.528 CA :: 61.703 CB :: 33.487 CG1 :: 21.004 CG2 :: 21.004 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.046 HA :: 4.252 HB :: 1.885 HG11 :: 0.718 HG12 :: 0.718 HG13 :: 0.718 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.605 Ave N Shift Values>> N :: 121.02(4.96) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 C 0.29 Q 0.17 E 0.15 K 0.05 C Shift Assignments>> C :: 173.379 CA :: 55.170 CB :: 31.608 CG :: 34.403 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.308 HA :: 4.315 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 2.109 HG3 :: 2.232 HE21 :: 7.490 HE22 :: 6.916 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.386 NE2 :: 111.662 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.4 R 0.14 M 0.03 C Shift Assignments>> C :: 175.220 CA :: 55.064 CB :: 35.098 CG :: 24.606 CD :: 29.471 CE :: 41.884 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.776 HA :: 5.089 HB2 :: 1.518 HB3 :: 1.427 HG2 :: 1.164 HG3 :: 1.085 HD2 :: 1.489 HD3 :: 1.489 HE2 :: 2.784 HE3 :: 2.784 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.005 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.35 G 0.03 C Shift Assignments>> C :: 174.317 CA :: 56.680 CB :: 42.542 CD1 :: 132.358 CD2 :: 132.358 CE1 :: 130.158 CE2 :: 130.158 CZ :: 129.858 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.909 HA :: 4.727 HB2 :: 3.041 HB3 :: 2.608 HD1 :: 7.075 HD2 :: 7.075 HE1 :: 6.883 HE2 :: 6.883 HZ :: 6.895 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.492 Ave N Shift Values>> N :: 120.69(4.18) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.09 G 0.07 L 0.01 C Shift Assignments>> C :: 176.427 CA :: 56.188 CB :: 30.086 CG :: 27.416 CD :: 43.364 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.870 HA :: 5.292 HB2 :: 1.995 HB3 :: 1.802 HG2 :: 1.629 HG3 :: 1.629 HD2 :: 3.240 HD3 :: 3.240 HE :: 7.815 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.852 NE :: 85.485 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.12 V 0.08 C Shift Assignments>> C :: 174.736 CA :: 59.455 CB :: 36.244 CG1 :: 24.099 CG2 :: 20.100 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.901 HA :: 5.311 HB :: 2.804 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.666 Ave N Shift Values>> N :: 121.02(4.96) 1.Q21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.74 M 0.15 E 0.08 C Shift Assignments>> C :: 175.988 CA :: 54.945 CB :: 34.208 CG :: 36.536 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.107 HA :: 5.782(S) HB2 :: 2.268 HB3 :: 2.473 HG2 :: 2.518 HG3 :: 2.518 HE21 :: 6.635 HE22 :: 8.052 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.482 NE2 :: 112.859 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.34 C Shift Assignments>> C :: 173.626 CA :: 54.362 CB :: 41.385 CD1 :: 132.482 CD2 :: 132.482 CE1 :: 117.986 CE2 :: 117.986 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.871 HA :: 5.113 HB2 :: 2.926 HB3 :: 2.926 HD1 :: 6.681 HD2 :: 6.681 HE1 :: 6.539 HE2 :: 6.539 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.706 Ave N Shift Values>> N :: 120.79(4.69) 1.L23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 R 0.36 K 0.19 L 0.01 C Shift Assignments>> CA :: 58.928 CB :: 41.791 CG :: 30.389 CD1 :: 25.581 CD2 :: 26.524 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.356 HA :: 3.293 HB2 :: 0.889 HB3 :: 0.493 HG :: -0.889(S) HD11 :: -0.050 HD12 :: -0.050 HD13 :: -0.050 HD21 :: -0.013 HD22 :: -0.013 HD23 :: -0.013 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.908 Ave N Shift Values>> N :: 121.98(4.07) 1.G24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 169.079 CA :: 43.330 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.509(S) HA2 :: 2.282(S) HA3 :: 4.031 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.276 Ave N Shift Values>> N :: 109.91(4.29) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.34 C 0.2 C Shift Assignments>> C :: 175.572 CA :: 52.149 CB :: 34.062 CG :: 32.122 CE :: 17.517 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.570 HA :: 5.175 HB2 :: 1.415 HB3 :: 1.332 HG2 :: 1.615 HG3 :: 1.958 HE1 :: 1.873 HE2 :: 1.873 HE3 :: 1.873 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.979 Ave N Shift Values>> N :: 120.1(3.88) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.26 L 0.17 C Shift Assignments>> C :: 174.663 CA :: 52.149 CB :: 46.678 CG :: 26.633 CD1 :: 24.894 CD2 :: 25.936 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.556 HA :: 4.767 HB2 :: 1.437 HB3 :: 1.097 HG :: 1.526 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.900 HD22 :: 0.900 HD23 :: 0.900 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.808 Ave N Shift Values>> N :: 121.98(4.07) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.656 CA :: 62.581 CB :: 32.019 CG :: 27.645 CD :: 51.169 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.935 HB2 :: 2.337 HB3 :: 1.891 HG2 :: 2.097 HG3 :: 1.873 HD2 :: 3.593 HD3 :: 3.761 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.1 I 0.09 A 0.02 C Shift Assignments>> C :: 176.163 CA :: 58.787 CB :: 36.130 CG1 :: 23.070 CG2 :: 19.195 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.007 HA :: 4.831 HB :: 2.138 HG11 :: 0.762 HG12 :: 0.762 HG13 :: 0.762 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.846 Ave N Shift Values>> N :: 121.02(4.96) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.2 K 0.17 C 0.1 R 0.08 F 0.07 Y 0.06 N 0.04 C Shift Assignments>> C :: 175.962 CA :: 54.854 CB :: 41.802 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.494 HA :: 4.741 HB2 :: 2.735 HB3 :: 2.735 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.014 Ave N Shift Values>> N :: 120.73(4.2) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.29 G 0.18 K 0.12 C Shift Assignments>> C :: 173.161 CA :: 52.254 CB :: 32.759 CG :: 26.382 CD :: 43.263 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.062 HA :: 4.545 HB2 :: 1.727 HB3 :: 1.643 HG2 :: 1.534 HG3 :: 1.534 HD2 :: 3.120 HD3 :: 3.120 HE :: 7.255 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.728 NE :: 85.562 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 176.047 CA :: 62.162 CB :: 31.647 CG :: 26.018 CD :: 49.452 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.457 HB2 :: 1.420 HB3 :: 1.269 HG2 :: 1.726 HG3 :: 1.815 HD2 :: 2.906 HD3 :: 3.478 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 A 0.05 I 0.04 V 0.04 C Shift Assignments>> C :: 174.195 CA :: 58.061 CB :: 36.904 CG1 :: 21.497 CG2 :: 18.381 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.267 HA :: 3.682 HB :: 1.596 HG11 :: 0.708 HG12 :: 0.708 HG13 :: 0.708 HG21 :: 0.514 HG22 :: 0.514 HG23 :: 0.514 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 106.878 Ave N Shift Values>> N :: 121.02(4.96) 1.G33 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.690 CA :: 44.668 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 3.372(S) HA2 :: 4.222 HA3 :: 3.168 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.719 Ave N Shift Values>> N :: 109.91(4.29) SRO Rule Breaks>> (H > HA2 : 0.9980) 1.M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.35 A 0.1 C Shift Assignments>> C :: 178.879 CA :: 55.556 CB :: 29.142 CG :: 32.337 CE :: 16.099 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.940 HA :: 4.740 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 2.463 HG3 :: 2.581 HE1 :: 2.055 HE2 :: 2.055 HE3 :: 2.055 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.147 Ave N Shift Values>> N :: 120.1(3.88) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.23 F 0.2 E 0.07 I 0.07 D 0.06 N 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 179.231 CA :: 56.926 CB :: 38.517 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.950 HA :: 4.376 HB2 :: 2.696 HB3 :: 2.603 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.230 Ave N Shift Values>> N :: 120.73(4.2) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.V112 1.V112 C Shift Assignments>> C :: 176.415 CA :: 66.215 CB :: 68.498 CG2 :: 21.722 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.481 HA :: 3.697 HB :: 3.799 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.854 Ave N Shift Values>> N :: 115.7(5.05) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 L 0.29 G 0.29 R 0.07 C Shift Assignments>> C :: 178.436 CA :: 58.766 CB :: 44.226 CG :: 26.295 CD1 :: 26.445 CD2 :: 25.561 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.928 HA :: 3.735 HB2 :: 1.854 HB3 :: 1.600 HG :: 1.363 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.594 HD22 :: 0.594 HD23 :: 0.594 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.204 Ave N Shift Values>> N :: 121.98(4.07) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.23 F 0.16 E 0.1 N 0.08 D 0.05 I 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 178.105 CA :: 56.491 CB :: 38.112 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.105 HA :: 4.543 HB2 :: 2.928 HB3 :: 2.554 HD21 :: 7.683 HD22 :: 7.247 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.785 ND2 :: 112.358 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.513 CA :: 61.843 CB :: 62.518 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.738 HA :: 4.187 HB2 :: 3.955 HB3 :: 3.908 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.870 Ave N Shift Values>> N :: 116.3(3.95) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 C 0.03 I 0.02 C Shift Assignments>> C :: 178.729 CA :: 55.029 CB :: 18.609 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.201 HA :: 4.081 HB1 :: 1.290 HB2 :: 1.290 HB3 :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.154 Ave N Shift Values>> N :: 123.23(3.7) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 C Shift Assignments>> C :: 177.787 CA :: 66.495 CB :: 38.973 CG1 :: 28.979 CG2 :: 17.730 CD1 :: 12.946 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.197 HA :: 3.325 HB :: 1.939 HG12 :: 0.730 HG13 :: 1.746 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 HD11 :: 0.638 HD12 :: 0.638 HD13 :: 0.638 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.763 Ave N Shift Values>> N :: 121.6(4.72) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.29 I 0.28 K 0.05 Q 0.01 HN Overlap>> 1.S134 1.S134 C Shift Assignments>> C :: 179.458 CA :: 59.385 CB :: 28.889 CG :: 36.775 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.467 HA :: 3.900 HB2 :: 2.029 HB3 :: 2.029 HG2 :: 2.478 HG3 :: 2.335 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.140 Ave N Shift Values>> N :: 120.68(3.68) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.21 F 0.2 D 0.1 N 0.07 I 0.05 L 0.04 E 0.03 C Shift Assignments>> C :: 178.644 CA :: 56.540 CB :: 38.957 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.834 HA :: 4.329 HB2 :: 2.854 HB3 :: 2.772 HD21 :: 6.769 HD22 :: 7.279 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.643 ND2 :: 111.695 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.36 R 0.07 G 0.01 C Shift Assignments>> C :: 179.827 CA :: 57.874 CB :: 41.884 CG :: 26.728 CD1 :: 25.443 CD2 :: 22.237 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.933 HA :: 4.073 HB2 :: 1.551 HB3 :: 0.959 HG :: 1.526 HD11 :: 0.229 HD12 :: 0.229 HD13 :: 0.229 HD21 :: 0.596 HD22 :: 0.596 HD23 :: 0.596 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.737 Ave N Shift Values>> N :: 121.98(4.07) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.44 C Shift Assignments>> C :: 177.300 CA :: 58.717 CB :: 33.613 CG :: 33.029 CE :: 17.079 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.593 HA :: 4.248 HB2 :: 2.287 HB3 :: 2.195 HG2 :: 2.455 HG3 :: 2.753 HE1 :: 2.331 HE2 :: 2.331 HE3 :: 2.331 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.450 Ave N Shift Values>> N :: 120.1(3.88) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.759 CA :: 63.478 CB :: 69.865 CG2 :: 21.593 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.763 HA :: 4.423 HB :: 4.430 HG21 :: 1.342 HG22 :: 1.342 HG23 :: 1.342 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.368 Ave N Shift Values>> N :: 115.7(5.05) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.440 CA :: 58.998 CB :: 64.326 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.744 HA :: 4.555 HB2 :: 4.053 HB3 :: 3.955 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.327 Ave N Shift Values>> N :: 116.3(3.95) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 172.189 CA :: 57.664 CB :: 65.724 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.735 HA :: 4.712 HB2 :: 4.111 HB3 :: 4.111 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.464 Ave N Shift Values>> N :: 116.3(3.95) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.440 CA :: 56.891 CB :: 65.011 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.586 HA :: 4.400 HB2 :: 3.629 HB3 :: 3.589 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.059 Ave N Shift Values>> N :: 116.3(3.95) 1.K50 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.16 M 0.06 C Shift Assignments>> C :: 177.257 CA :: 57.207 CB :: 32.102 CG :: 23.717 CD :: 29.142 CE :: 41.555 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.631 HA :: 1.301(S) HB2 :: 0.878(S) HB3 :: 0.710(S) HG2 :: 0.578 HG3 :: 0.707 HD2 :: 1.030 HD3 :: 0.916 HE2 :: 2.274 HE3 :: 2.493 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.344 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 I 0.15 K 0.1 Q 0.03 M 0.01 C Shift Assignments>> C :: 176.968 CA :: 58.081 CB :: 28.731 CG :: 36.364 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.927 HA :: 3.765 HB2 :: 1.808 HB3 :: 1.661 HG2 :: 2.093 HG3 :: 2.057 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.374 Ave N Shift Values>> N :: 120.68(3.68) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 K 0.16 C 0.1 R 0.08 F 0.07 Y 0.05 N 0.04 C Shift Assignments>> C :: 176.770 CA :: 54.537 CB :: 41.808 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.758 HA :: 4.566 HB2 :: 2.844 HB3 :: 2.703 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.368 Ave N Shift Values>> N :: 120.73(4.2) 1.W53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.66 C 0.32 C Shift Assignments>> C :: 174.663 CA :: 53.027 CB :: 28.508 CD1 :: 124.714 CE3 :: 120.078 CZ2 :: 114.432 CZ3 :: 121.558 CH2 :: 123.858 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.009 HA :: 5.245 HB2 :: 3.372 HB3 :: 2.791 HD1 :: 6.925 HE1 :: 9.865 HE3 :: 6.911 HZ2 :: 7.273 HZ3 :: 5.884 HH2 :: 6.581 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.763 NE1 :: 129.578 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.813 CA :: 63.108 CB :: 32.513 CG :: 27.558 CD :: 51.348 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.611 HB2 :: 2.459 HB3 :: 1.995 HG2 :: 2.291 HG3 :: 2.251 HD2 :: 4.211 HD3 :: 4.734 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A63 1.A63 C Shift Assignments>> C :: 174.529 CA :: 59.174 CB :: 63.388 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.734 HA :: 5.022 HB2 :: 3.880 HB3 :: 3.880 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.454 Ave N Shift Values>> N :: 116.3(3.95) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.24 I 0.01 A 0.01 C Shift Assignments>> C :: 173.559 CA :: 58.752 CB :: 35.882 CG1 :: 22.319 CG2 :: 20.550 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.421 HA :: 5.014 HB :: 2.138 HG11 :: 0.859 HG12 :: 0.859 HG13 :: 0.859 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.721 Ave N Shift Values>> N :: 121.02(4.96) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.15 C 0.12 K 0.06 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 174.256 CA :: 52.060 CB :: 41.144 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.087 HA :: 5.605 HB2 :: 2.512 HB3 :: 2.389 HD21 :: 7.353 HD22 :: 6.981 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.537 ND2 :: 112.796 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.43 A 0.07 I 0.01 C Shift Assignments>> C :: 173.748 CA :: 54.397 CB :: 35.865 CG :: 31.562 CE :: 15.125 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.603 HA :: 4.922 HB2 :: 2.019 HB3 :: 1.577 HG2 :: 1.898 HG3 :: 1.898 HE1 :: 0.954 HE2 :: 0.954 HE3 :: 0.954 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.777 Ave N Shift Values>> N :: 120.1(3.88) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.32 C 0.12 L 0.09 F 0.04 Y 0.04 K 0.02 C Shift Assignments>> C :: 174.680 CA :: 51.856 CB :: 40.443 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.468 HA :: 5.409 HB2 :: 2.775 HB3 :: 2.401 HD21 :: 6.595 HD22 :: 6.833 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.198 ND2 :: 109.193 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 174.293 CA :: 62.152 CB :: 32.693 CG1 :: 20.868 CG2 :: 21.668 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.269 HA :: 4.481 HB :: 2.127 HG11 :: 0.780 HG12 :: 0.780 HG13 :: 0.780 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.547 Ave N Shift Values>> N :: 121.02(4.96) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.22 C 0.12 M 0.12 K 0.01 C Shift Assignments>> C :: 175.821 CA :: 51.130 CB :: 22.066 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.446 HA :: 4.734 HB1 :: 1.442 HB2 :: 1.442 HB3 :: 1.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.109 Ave N Shift Values>> N :: 123.23(3.7) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.19 D 0.17 C 0.16 L 0.11 N 0.07 K 0.04 I 0.03 C Shift Assignments>> C :: 176.843 CA :: 56.188 CB :: 39.990 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.871 HA :: 4.295 HB2 :: 2.572 HB3 :: 2.782 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.939 Ave N Shift Values>> N :: 120.73(4.2) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.02 HN Overlap>> 1.S55 1.S55 C Shift Assignments>> C :: 177.729 CA :: 52.711 CB :: 19.074 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.775 HA :: 4.184 HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.468 Ave N Shift Values>> N :: 123.23(3.7) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 171.926 CA :: 61.949 CB :: 72.553 CG2 :: 21.908 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.610 HA :: 4.946 HB :: 3.988 HG21 :: 1.035 HG22 :: 1.035 HG23 :: 1.035 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.852 Ave N Shift Values>> N :: 115.7(5.05) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.579 CA :: 61.422 CB :: 33.676 CG1 :: 20.802 CG2 :: 20.802 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.777 HA :: 4.658 HB :: 1.684 HG11 :: 0.616 HG12 :: 0.616 HG13 :: 0.616 HG21 :: 0.616 HG22 :: 0.616 HG23 :: 0.616 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.994 Ave N Shift Values>> N :: 121.02(4.96) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.353 CA :: 61.071 CB :: 70.767 CG2 :: 22.725 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.955 HA :: 5.081 HB :: 3.926 HG21 :: 1.267 HG22 :: 1.267 HG23 :: 1.267 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.136 Ave N Shift Values>> N :: 115.7(5.05) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.348 CA :: 61.281 CB :: 32.724 CG1 :: 21.840 CG2 :: 21.108 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.146 HA :: 4.831 HB :: 1.904 HG11 :: 0.655 HG12 :: 0.655 HG13 :: 0.655 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.584 Ave N Shift Values>> N :: 121.02(4.96) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 175.411 CA :: 59.876 CB :: 41.577 CG1 :: 28.325 CG2 :: 18.248 CD1 :: 13.467 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.104 HA :: 4.857 HB :: 1.738 HG12 :: 1.451 HG13 :: 1.030 HG21 :: 1.014 HG22 :: 1.014 HG23 :: 1.014 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.076 Ave N Shift Values>> N :: 121.6(4.72) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.015 CA :: 58.928 CB :: 63.924 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.444 HA :: 4.368 HB2 :: 4.149 HB3 :: 4.330 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.205 Ave N Shift Values>> N :: 116.3(3.95) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.14 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.134 CA :: 58.296 CB :: 29.882 CG :: 36.623 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.341 HA :: 4.188 HB2 :: 1.849 HB3 :: 1.964 HG2 :: 2.197 HG3 :: 2.197 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.461 Ave N Shift Values>> N :: 120.68(3.68) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.19 M 0.02 C Shift Assignments>> C :: 176.381 CA :: 56.961 CB :: 33.417 CG :: 25.032 CD :: 29.158 CE :: 42.131 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.106 HA :: 4.263 HB2 :: 1.782 HB3 :: 1.869 HG2 :: 1.445 HG3 :: 1.507 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 3.037 HE3 :: 3.037 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.211 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.17 C 0.16 Y 0.07 F 0.05 L 0.03 E 0.01 C Shift Assignments>> C :: 174.622 CA :: 52.851 CB :: 38.678 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.469 HA :: 4.716 HB2 :: 2.883 HB3 :: 2.762 HD21 :: 7.716 HD22 :: 7.015 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.249 ND2 :: 112.472 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 I 0.14 K 0.09 Q 0.02 M 0.02 HN Overlap>> 1.F97 1.F97 C Shift Assignments>> C :: 175.658 CA :: 57.980 CB :: 29.142 CG :: 36.541 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.666 HA :: 4.159 HB2 :: 1.995 HB3 :: 2.066 HG2 :: 2.275 HG3 :: 2.275 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.368 Ave N Shift Values>> N :: 120.68(3.68) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 K 0.09 I 0.08 M 0.03 Q 0.02 C Shift Assignments>> C :: 176.237 CA :: 56.399 CB :: 29.224 CG :: 36.705 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.034 HA :: 4.184 HB2 :: 2.086 HB3 :: 1.930 HG2 :: 2.145 HG3 :: 2.255 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.553 Ave N Shift Values>> N :: 120.68(3.68) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.1 K 0.08 Q 0.05 I 0.03 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 173.924 CA :: 55.942 CB :: 30.192 CG :: 36.190 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.962 HA :: 4.313 HB2 :: 2.245 HB3 :: 1.895 HG2 :: 2.065 HG3 :: 2.144 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.561 Ave N Shift Values>> N :: 120.68(3.68) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 176.593 CA :: 62.710 CB :: 31.858 CG1 :: 21.108 CG2 :: 21.610 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.302 HA :: 4.036 HB :: 1.998 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.775 HG22 :: 0.775 HG23 :: 0.775 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.114 Ave N Shift Values>> N :: 121.02(4.96) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.29 R 0.24 G 0.03 C Shift Assignments>> C :: 177.555 CA :: 56.680 CB :: 42.824 CG :: 27.853 CD1 :: 25.961 CD2 :: 23.117 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.052 HA :: 4.352 HB2 :: 1.497 HB3 :: 1.318 HG :: 1.683 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.817 Ave N Shift Values>> N :: 121.98(4.07) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.43 I 0.02 C Shift Assignments>> C :: 172.861 CA :: 61.329 CB :: 35.787 CG1 :: 19.741 CG2 :: 21.383 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.363 HA :: 4.191 HB :: 1.726 HG11 :: 0.516 HG12 :: 0.516 HG13 :: 0.516 HG21 :: 0.572 HG22 :: 0.572 HG23 :: 0.572 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.050 Ave N Shift Values>> N :: 121.02(4.96) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.3 M 0.2 I 0.01 C Shift Assignments>> C :: 173.658 CA :: 55.591 CB :: 32.019 CG :: 36.787 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.734 HA :: 4.797 HB2 :: 1.969 HB3 :: 1.772 HG2 :: 2.035 HG3 :: 1.856 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.014 Ave N Shift Values>> N :: 120.68(3.68) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.14 H 0.13 W 0.13 E 0.13 C 0.11 R 0.1 M 0.03 I 0.03 L 0.01 C Shift Assignments>> C :: 174.922 CA :: 57.102 CB :: 29.183 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.259 HA :: 4.933 HB2 :: 2.871 HB3 :: 2.513 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 127.055 Ave N Shift Values>> N :: 119.95(4.79) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.1 G 0.06 L 0.02 C Shift Assignments>> C :: 178.761 CA :: 56.715 CB :: 29.948 CG :: 27.558 CD :: 43.282 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.199 HA :: 4.708 HB2 :: 2.000 HB3 :: 2.160 HG2 :: 1.886 HG3 :: 1.886 HD2 :: 3.277 HD3 :: 3.277 HE :: 7.365 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 130.383 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.052 CA :: 66.550 CB :: 31.062 CG1 :: 21.722 CG2 :: 20.379 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.469 HA :: 3.679 HB :: 2.287 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.554 Ave N Shift Values>> N :: 121.02(4.96) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.32 K 0.18 L 0.05 G 0.04 HN Overlap>> 1.K92 1.K92 C Shift Assignments>> C :: 175.260 CA :: 57.699 CB :: 29.633 CG :: 26.382 CD :: 43.117 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.059 HA :: 4.086 HB2 :: 1.670 HB3 :: 1.347 HG2 :: 1.155 HG3 :: 0.758 HD2 :: 2.758 HD3 :: 2.909 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.669 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F84 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.42 C 0.31 Y 0.26 HN Overlap>> 1.T12 1.T12 C Shift Assignments>> C :: 173.004 CA :: 57.734 CB :: 39.612 CD1 :: 131.483 CD2 :: 131.483 CE1 :: 131.308 CE2 :: 131.308 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.216 HA :: 5.058 HB2 :: 4.455(A) HB3 :: 2.960 HD1 :: 7.414 HD2 :: 7.414 HE1 :: 7.349 HE2 :: 7.349 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.732 Ave N Shift Values>> N :: 120.69(4.18) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.29 L 0.25 G 0.06 K 0.03 C Shift Assignments>> C :: 175.698 CA :: 55.591 CB :: 43.219 CG :: 28.796 CD1 :: 26.283 CD2 :: 25.263 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.739 HA :: 4.831 HB2 :: 1.965 HB3 :: 1.444 HG :: 1.642 HD11 :: 0.216 HD12 :: 0.216 HD13 :: 0.216 HD21 :: 0.755 HD22 :: 0.755 HD23 :: 0.755 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.837 Ave N Shift Values>> N :: 121.98(4.07) 1.S86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.718 CA :: 60.645 CB :: 62.764 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.028 HA :: 3.921 HB2 :: 3.163 HB3 :: 2.264(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.012 Ave N Shift Values>> N :: 116.3(3.95) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.27 F 0.02 Y 0.01 C Shift Assignments>> C :: 172.044 CA :: 57.314 CB :: 46.323 CE1 :: 130.376 CE2 :: 130.376 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.670 HA :: 5.497 HB2 :: 3.673 HB3 :: 2.622 HD1 :: 7.050 HD2 :: 7.050 HE1 :: 7.270 HE2 :: 7.270 HZ :: 7.402 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.644 Ave N Shift Values>> N :: 120.69(4.18) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 C 0.37 M 0.19 C Shift Assignments>> C :: 171.252 CA :: 54.362 CB :: 36.952 CG :: 31.649 CE :: 20.051 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.673 HA :: 5.271 HB2 :: 2.364 HB3 :: 2.090 HG2 :: 2.675 HG3 :: 2.305 HE1 :: 2.043 HE2 :: 2.043 HE3 :: 2.043 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.732 Ave N Shift Values>> N :: 120.1(3.88) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 169.059 CA :: 46.037 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.094 HA2 :: 4.145 HA3 :: 3.799 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.015 Ave N Shift Values>> N :: 109.91(4.29) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.23 I 0.04 C Shift Assignments>> C :: 174.996 CA :: 59.490 CB :: 35.767 CG1 :: 20.273 CG2 :: 23.104 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.860 HA :: 4.895 HB :: 1.279 HG11 :: 1.274 HG12 :: 1.274 HG13 :: 1.274 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.140 Ave N Shift Values>> N :: 121.02(4.96) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 172.241 CA :: 44.946 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.507 HA2 :: 4.624 HA3 :: 3.733 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.880 Ave N Shift Values>> N :: 109.91(4.29) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.01 G 0.01 HN Overlap>> 1.R83 1.R83 C Shift Assignments>> C :: 177.984 CA :: 59.212 CB :: 32.323 CG :: 25.114 CD :: 29.142 CE :: 42.131 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.101 HA :: 3.803 HB2 :: 1.739 HB3 :: 1.739 HG2 :: 1.415 HG3 :: 1.415 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.920 HE3 :: 2.963 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.774 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.23 R 0.13 C 0.11 K 0.09 N 0.05 F 0.03 G 0.03 Y 0.02 HN Overlap>> 1.N121 1.N121 C Shift Assignments>> C :: 178.143 CA :: 52.851 CB :: 42.596 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.409 HA :: 4.929 HB2 :: 2.443 HB3 :: 2.872 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.595 Ave N Shift Values>> N :: 120.73(4.2) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.33 I 0.01 C Shift Assignments>> C :: 175.281 CA :: 63.775 CB :: 31.748 CG1 :: 21.288 CG2 :: 17.671 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.433 HA :: 3.791 HB :: 2.268 HG11 :: 0.967 HG12 :: 0.967 HG13 :: 0.967 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.448 Ave N Shift Values>> N :: 121.02(4.96) 1.H95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 H 0.3 W 0.26 C Shift Assignments>> C :: 176.299 CA :: 58.155 CB :: 25.772 CD2 :: 121.108 CE1 :: 134.658 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.008 HA :: 3.938 HB2 :: 0.635(S) HB3 :: 1.454(S) HD2 :: 7.019 HE1 :: 8.625 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.202 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 T 0.27 C Shift Assignments>> C :: 172.201 CA :: 60.403 CB :: 71.965 CG2 :: 24.290 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.482 HA :: 5.160 HB :: 3.896 HG21 :: 1.344 HG22 :: 1.344 HG23 :: 1.344 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.502 Ave N Shift Values>> N :: 115.7(5.05) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 F 0.25 C 0.18 HN Overlap>> 1.E73 1.E73 C Shift Assignments>> C :: 172.493 CA :: 54.793 CB :: 44.704 CD1 :: 131.708 CD2 :: 131.708 CE1 :: 130.638 CE2 :: 130.638 CZ :: 129.186 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.744 HA :: 5.292 HB2 :: 3.196 HB3 :: 2.440 HD1 :: 6.962 HD2 :: 6.962 HE1 :: 6.998 HE2 :: 6.998 HZ :: 7.159 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.421 Ave N Shift Values>> N :: 120.69(4.18) 1.A98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 C 0.1 L 0.09 K 0.02 R 0.01 C Shift Assignments>> C :: 174.206 CA :: 49.901 CB :: 25.242(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.966 HA :: 5.479 HB1 :: 0.993 HB2 :: 0.993 HB3 :: 0.993 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.511 Ave N Shift Values>> N :: 123.23(3.7) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 C 0.32 G 0.16 C Shift Assignments>> C :: 172.437 CA :: 54.959 CB :: 43.327 CD1 :: 132.073 CD2 :: 132.073 CE1 :: 130.858 CE2 :: 130.858 CZ :: 127.758 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.031 HA :: 5.461 HB2 :: 3.370 HB3 :: 2.725 HD1 :: 7.037 HD2 :: 7.037 HE1 :: 7.155 HE2 :: 7.155 HZ :: 6.769 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 111.349 Ave N Shift Values>> N :: 120.69(4.18) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 174.014 CA :: 60.684 CB :: 39.877 CG1 :: 28.637 CG2 :: 18.841 CD1 :: 12.938 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.317 HA :: 5.056 HB :: 1.725 HG12 :: 0.578 HG13 :: 1.681 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 HD11 :: 0.605 HD12 :: 0.605 HD13 :: 0.605 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.221 Ave N Shift Values>> N :: 121.6(4.72) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 C 0.31 M 0.09 I 0.01 C Shift Assignments>> C :: 174.022 CA :: 53.168 CB :: 38.064 CG :: 31.773 CE :: 17.672 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.529 HA :: 5.784 HB2 :: 2.365 HB3 :: 2.325 HG2 :: 2.698 HG3 :: 2.698 HE1 :: 2.212 HE2 :: 2.212 HE3 :: 2.212 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.910 Ave N Shift Values>> N :: 120.1(3.88) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.17 G 0.16 D 0.13 C 0.12 K 0.03 F 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 177.016 CA :: 52.887 CB :: 43.554 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.482 HA :: 5.064 HB2 :: 3.628 HB3 :: 2.988 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.670 Ave N Shift Values>> N :: 120.73(4.2) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.072 CA :: 62.054 CB :: 68.765 CG2 :: 22.073 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.548 HA :: 4.279 HB :: 4.499 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.366 Ave N Shift Values>> N :: 115.7(5.05) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.942 CA :: 44.843 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.044 HA2 :: 3.525 HA3 :: 4.308 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.975 Ave N Shift Values>> N :: 109.91(4.29) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.21 D 0.1 Y 0.09 F 0.06 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 173.970 CA :: 53.449 CB :: 37.883 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.731 HA :: 4.465 HB2 :: 2.563 HB3 :: 2.842 HD21 :: 7.475 HD22 :: 6.845 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.321 ND2 :: 112.857 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.26 Q 0.1 E 0.05 I 0.04 R 0.03 M 0.02 C Shift Assignments>> C :: 173.870 CA :: 57.016 CB :: 25.852 CG :: 35.076 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.057 HA :: 3.270 HB2 :: 2.208 HB3 :: 2.128 HG2 :: 2.216 HG3 :: 2.216 HE21 :: 7.671 HE22 :: 6.723 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.691 NE2 :: 112.950 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.32 G 0.08 K 0.07 L 0.01 C Shift Assignments>> C :: 174.811 CA :: 54.608 CB :: 30.362 CG :: 27.096 CD :: 43.364 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.815 HA :: 4.278 HB2 :: 1.678 HB3 :: 1.630 HG2 :: 1.377 HG3 :: 1.530 HD2 :: 3.112 HD3 :: 3.112 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.777 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.35 C Shift Assignments>> C :: 176.268 CA :: 56.434 CB :: 41.270 CD1 :: 131.266 CD2 :: 131.266 CE1 :: 131.014 CE2 :: 131.014 CZ :: 129.338 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.284 HA :: 5.621 HB2 :: 2.819 HB3 :: 2.669 HD1 :: 6.898 HD2 :: 6.898 HE1 :: 7.289 HE2 :: 7.289 HZ :: 7.270 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.876 Ave N Shift Values>> N :: 120.69(4.18) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 M 0.19 E 0.09 C Shift Assignments>> C :: 174.199 CA :: 54.994 CB :: 34.154 CG :: 36.212 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.268 HA :: 4.611 HB2 :: 1.920 HB3 :: 1.662 HG2 :: 2.239 HG3 :: 2.285 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.103 Ave N Shift Values>> N :: 120.68(3.68) 1.C110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 H 0.14 E 0.12 W 0.12 C 0.11 R 0.1 M 0.03 I 0.02 L 0.02 C Shift Assignments>> C :: 172.638 CA :: 56.504 CB :: 29.214 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.935 HA :: 5.432 HB2 :: 2.611 HB3 :: 2.407 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.146 Ave N Shift Values>> N :: 119.95(4.79) 1.H111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 H 0.19 W 0.07 C Shift Assignments>> C :: 174.268 CA :: 55.591 CB :: 34.075 CD2 :: 116.358 CE1 :: 138.972 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.432 HA :: 4.705 HB2 :: 2.601 HB3 :: 1.723 HD2 :: 6.495 HE1 :: 7.703 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 128.890 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 HN Overlap>> 1.T36 1.T36 C Shift Assignments>> C :: 173.476 CA :: 61.527 CB :: 33.545 CG1 :: 23.963 CG2 :: 22.566 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.578 HA :: 4.575 HB :: 1.414 HG11 :: 0.847 HG12 :: 0.847 HG13 :: 0.847 HG21 :: 0.596 HG22 :: 0.596 HG23 :: 0.596 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.870 Ave N Shift Values>> N :: 121.02(4.96) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 C 0.36 G 0.12 C Shift Assignments>> C :: 173.366 CA :: 56.891 CB :: 43.199 CD1 :: 132.358 CD2 :: 132.358 CE1 :: 131.528 CE2 :: 131.528 CZ :: 128.028 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.502 HA :: 5.440 HB2 :: 3.201 HB3 :: 2.772 HD1 :: 7.244 HD2 :: 7.244 HE1 :: 6.895 HE2 :: 6.895 HZ :: 6.775 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.061 Ave N Shift Values>> N :: 120.69(4.18) 1.W114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.46 H 0.04 C Shift Assignments>> C :: 176.131 CA :: 56.961 CB :: 31.274 CD1 :: 127.258 CE3 :: 120.458 CZ2 :: 114.147 CZ3 :: 121.418 CH2 :: 124.608 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.304 HA :: 4.883 HB2 :: 3.206 HB3 :: 2.914 HD1 :: 7.298 HE1 :: 10.657 HE3 :: 7.235 HZ2 :: 6.553 HZ3 :: 7.008 HH2 :: 7.161 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.422 NE1 :: 131.716 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.13 E 0.13 C 0.13 H 0.12 Q 0.09 M 0.09 K 0.08 V 0.02 I 0.01 C Shift Assignments>> C :: 172.997 CA :: 57.172 CB :: 30.836 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.320 HA :: 4.835 HB2 :: 2.810 HB3 :: 2.381 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 129.665 Ave N Shift Values>> N :: 119.95(4.79) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.27 E 0.16 Q 0.14 K 0.06 C Shift Assignments>> C :: 176.649 CA :: 53.203 CB :: 30.959 CG :: 35.017 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.832 HA :: 4.679 HB2 :: 1.941 HB3 :: 2.165 HG2 :: 2.644 HG3 :: 2.488 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.029 Ave N Shift Values>> N :: 120.68(3.68) 1.P117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.42 C Shift Assignments>> C :: 175.339 CA :: 64.211 CB :: 33.664 CG :: 24.712 CD :: 49.841 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.095 HB2 :: 2.497 HB3 :: 2.149 HG2 :: 2.103 HG3 :: 1.783 HD2 :: 3.890 HD3 :: 3.580 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.16 D 0.15 Y 0.06 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 174.423 CA :: 52.612 CB :: 38.514 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.397 HA :: 3.835 HB2 :: 2.931 HB3 :: 2.240 HD21 :: 7.319 HD22 :: 7.797 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 110.781 ND2 :: 117.594 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.21 L 0.07 C 0.05 HN Overlap>> 1.S134 1.S134 C Shift Assignments>> C :: 177.716 CA :: 52.662 CB :: 20.744 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.557 HA :: 4.188 HB1 :: 1.272 HB2 :: 1.272 HB3 :: 1.272 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.004 Ave N Shift Values>> N :: 123.23(3.7) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 I 0.22 A 0.07 C 0.04 V 0.04 T 0.01 C Shift Assignments>> C :: 177.642 CA :: 57.566 CB :: 18.209 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.092 HA :: 3.589 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.313 Ave N Shift Values>> N :: 123.23(3.7) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.2 Y 0.18 F 0.1 N 0.07 M 0.04 I 0.04 D 0.02 K 0.01 HN Overlap>> 1.D93 1.D93 C Shift Assignments>> C :: 178.199 CA :: 56.329 CB :: 37.281 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.492 HA :: 4.258 HB2 :: 2.748 HB3 :: 2.869 HD21 :: 7.671 HD22 :: 7.000 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.599 ND2 :: 111.281 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> CA :: 65.285 CB :: 31.576 CG1 :: 20.840 CG2 :: 23.057 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.206 HA :: 2.174(S) HB :: 1.062 HG11 :: -0.173(S) HG12 :: -0.173(S) HG13 :: -0.173(S) HG21 :: 0.161 HG22 :: 0.161 HG23 :: 0.161 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.029 Ave N Shift Values>> N :: 121.02(4.96) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.267 CB :: 63.438 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.306 HA :: 3.207 HB2 :: 3.655 HB3 :: 3.574 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.208 Ave N Shift Values>> N :: 116.3(3.95) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.3 I 0.2 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.243 CA :: 59.897 CB :: 29.275 CG :: 35.883 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.976 HA :: 3.625 HB2 :: 1.749 HB3 :: 1.472 HG2 :: 1.824 HG3 :: 1.671 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.778 Ave N Shift Values>> N :: 120.68(3.68) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 180.675 CA :: 54.924 CB :: 18.925 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.481 HA :: 4.098 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.450 Ave N Shift Values>> N :: 123.23(3.7) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.521 CA :: 67.042 CB :: 31.472 CG1 :: 23.610 CG2 :: 23.179 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.106 HA :: 3.328 HB :: 1.871 HG11 :: 0.730 HG12 :: 0.730 HG13 :: 0.730 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.458 Ave N Shift Values>> N :: 121.02(4.96) 1.Q127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.32 K 0.23 Q 0.14 R 0.12 P 0.08 E 0.03 M 0.03 I 0.02 HN Overlap>> 1.M183 1.M183 C Shift Assignments>> C :: 178.479 CA :: 60.377 CB :: 28.548 CG :: 32.841 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.250 HA :: 3.423 HB2 :: 1.736 HB3 :: 1.939 HG2 :: 1.563 HG3 :: 0.912(S) HE21 :: 5.944 HE22 :: 6.468 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.158 NE2 :: 108.500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.02 C 0.02 HN Overlap>> 1.M183 1.M183 C Shift Assignments>> C :: 180.411 CA :: 54.713 CB :: 17.806 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.127 HA :: 4.012 HB1 :: 1.382 HB2 :: 1.382 HB3 :: 1.382 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.207 Ave N Shift Values>> N :: 123.23(3.7) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.47 C 0.02 I 0.02 C Shift Assignments>> C :: 179.017 CA :: 54.243 CB :: 17.689 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.575 HA :: 4.159 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.091 Ave N Shift Values>> N :: 123.23(3.7) 1.C130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 P 0.14 C 0.13 W 0.09 V 0.04 E 0.03 R 0.03 K 0.03 H 0.02 Q 0.02 C Shift Assignments>> C :: 175.080 CA :: 61.949 CB :: 28.640 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.498 HA :: 4.113 HB2 :: 3.338 HB3 :: 3.181 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.212 Ave N Shift Values>> N :: 119.95(4.79) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.272 CA :: 59.525 CB :: 64.162 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.889 HA :: 4.359 HB2 :: 3.936 HB3 :: 3.936 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.024 Ave N Shift Values>> N :: 116.3(3.95) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 172.119 CA :: 45.089 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.012 HA2 :: 4.134 HA3 :: 4.086 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.892 Ave N Shift Values>> N :: 109.91(4.29) 1.P133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.554 CA :: 63.529 CB :: 32.102 CG :: 27.663 CD :: 49.728 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.427 HB2 :: 1.939 HB3 :: 2.270 HG2 :: 1.993 HG3 :: 1.993 HD2 :: 3.606 HD3 :: 3.606 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E42 1.E42 1.A119 1.A119 C Shift Assignments>> C :: 174.847 CA :: 58.558 CB :: 63.873 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.484 HA :: 4.457 HB2 :: 3.901 HB3 :: 3.855 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.049 Ave N Shift Values>> N :: 116.3(3.95) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 I 0.04 M 0.03 V 0.03 T 0.02 L 0.02 C Shift Assignments>> C :: 175.050 CA :: 58.752 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.347 HA :: 4.224 HB2 :: 3.917 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.720 Ave N Shift Values>> N :: 116.3(3.95) 1.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.316 CA :: 45.408 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.962 HA3 :: 3.962 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.520 CA :: 61.387 CB :: 38.770 CG1 :: 27.294 CG2 :: 17.551 CD1 :: 13.205 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.957 HA :: 4.120 HB :: 1.825 HG12 :: 1.377 HG13 :: 1.111 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.617 Ave N Shift Values>> N :: 121.6(4.72) 1.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 M 0.08 I 0.06 Q 0.05 C Shift Assignments>> C :: 177.090 CA :: 57.024 CB :: 30.047 CG :: 36.212 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.586 HA :: 4.229 HB2 :: 1.943 HB3 :: 2.022 HG2 :: 2.257 HG3 :: 2.257 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.545 Ave N Shift Values>> N :: 120.68(3.68) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.458 CA :: 45.405 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.401 HA2 :: 3.940 HA3 :: 3.940 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.931 Ave N Shift Values>> N :: 109.91(4.29) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.06 C Shift Assignments>> C :: 177.032 CA :: 56.294 CB :: 30.622 CG :: 27.005 CD :: 43.282 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.196 HA :: 4.335 HB2 :: 1.761 HB3 :: 1.862 HG2 :: 1.625 HG3 :: 1.594 HD2 :: 3.168 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.470 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.323 CA :: 45.370 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.506 HA2 :: 3.959 HA3 :: 3.959 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.975 Ave N Shift Values>> N :: 109.91(4.29) 1.S142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.088 CA :: 45.440 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.957 HA3 :: 3.957 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 F 0.08 N 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 176.245 CA :: 54.467 CB :: 41.246 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.157 HA :: 4.558 HB2 :: 2.693 HB3 :: 2.604 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.751 Ave N Shift Values>> N :: 120.73(4.2) 1.A155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 C Shift Assignments>> C :: 177.477 CA :: 52.641 CB :: 19.177 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.204 HA :: 4.255 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.090 Ave N Shift Values>> N :: 123.23(3.7) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.507 CA :: 52.570 CB :: 19.175 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.223 HA :: 4.291 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.396 Ave N Shift Values>> N :: 123.23(3.7) 1.V157 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 :: 176.397 CA :: 61.633 CB :: 33.359 CG1 :: 21.515 CG2 :: 20.378 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.793 HA :: 4.289 HB :: 2.079 HG11 :: 0.937 HG12 :: 0.937 HG13 :: 0.937 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.466 Ave N Shift Values>> N :: 121.02(4.96) 1.T158 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 :: 173.524 CA :: 60.333 CB :: 68.917 CG2 :: 22.058 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.471 HA :: 4.630 HB :: 4.614 HG21 :: 1.335 HG22 :: 1.335 HG23 :: 1.335 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.504 Ave N Shift Values>> N :: 115.7(5.05) 1.P159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 179.264 CA :: 65.469 CB :: 31.789 CG :: 28.055 CD :: 50.475 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.190 HB2 :: 1.935 HB3 :: 2.345 HG2 :: 1.996 HG3 :: 2.181 HD2 :: 3.892 HD3 :: 3.892 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.32 E 0.28 K 0.02 M 0.01 C Shift Assignments>> C :: 177.963 CA :: 60.052 CB :: 29.964 CG :: 37.243 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.580 HA :: 4.014 HB2 :: 2.086 HB3 :: 1.817 HG2 :: 2.100 HG3 :: 2.100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.122 Ave N Shift Values>> N :: 120.68(3.68) 1.E161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.23 K 0.03 M 0.02 C Shift Assignments>> C :: 179.544 CA :: 59.174 CB :: 29.856 CG :: 37.034 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.849 HA :: 3.912 HB2 :: 2.221 HB3 :: 1.986 HG2 :: 2.225 HG3 :: 2.310 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.564 Ave N Shift Values>> N :: 120.68(3.68) 1.R162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.09 G 0.08 C Shift Assignments>> C :: 178.561 CA :: 59.139 CB :: 30.211 CG :: 27.758 CD :: 43.364 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.326 HA :: 4.009 HB2 :: 1.860 HB3 :: 1.860 HG2 :: 1.590 HG3 :: 1.696 HD2 :: 3.209 HD3 :: 3.163 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.733 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 H 0.35 W 0.19 C Shift Assignments>> C :: 177.342 CA :: 60.122 CB :: 30.649 CD2 :: 117.325 CE1 :: 137.558 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.200 HA :: 4.242 HB2 :: 3.099 HB3 :: 3.099 HD2 :: 6.397 HE1 :: 7.404 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.997 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.34 R 0.07 G 0.01 C Shift Assignments>> C :: 178.021 CA :: 58.296 CB :: 42.206 CG :: 26.988 CD1 :: 25.021 CD2 :: 23.328 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.452 HA :: 3.559 HB2 :: 1.839 HB3 :: 1.296 HG :: 1.661 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.600 Ave N Shift Values>> N :: 121.98(4.07) 1.S165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.288 CA :: 61.843 CB :: 62.635 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.081 HA :: 4.313 HB2 :: 3.954 HB3 :: 3.954 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.267 Ave N Shift Values>> N :: 116.3(3.95) 1.K166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.36 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 179.891 CA :: 59.911 CB :: 31.937 CG :: 25.121 CD :: 29.060 CE :: 42.048 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.717 HA :: 4.162 HB2 :: 1.939 HB3 :: 1.972 HG2 :: 1.482 HG3 :: 1.637 HD2 :: 1.720 HD3 :: 1.720 HE2 :: 2.981 HE3 :: 2.981 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.985 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.39 A 0.07 C Shift Assignments>> C :: 177.507 CA :: 57.172 CB :: 34.256 CG :: 33.558 CE :: 19.349 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.161 HA :: 4.100 HB2 :: 1.606 HB3 :: 2.148 HG2 :: 2.254 HG3 :: 1.905 HE1 :: 1.843 HE2 :: 1.843 HE3 :: 1.843 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.330 Ave N Shift Values>> N :: 120.1(3.88) 1.Q168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.28 E 0.17 Q 0.16 K 0.04 C Shift Assignments>> C :: 178.541 CA :: 56.926 CB :: 31.756 CG :: 34.403 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.107 HA :: 4.857 HB2 :: 2.202 HB3 :: 1.807 HG2 :: 2.162 HG3 :: 2.338 HE21 :: 8.237 HE22 :: 6.164 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.879 NE2 :: 114.378 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 K 0.2 E 0.16 M 0.07 R 0.03 I 0.01 C Shift Assignments>> C :: 176.691 CA :: 58.085 CB :: 29.635 CG :: 34.075 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.197 HA :: 4.212 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 2.538 HG3 :: 2.397 HE21 :: 7.421 HE22 :: 6.822 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.115 NE2 :: 111.680 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.13 R 0.11 C 0.1 F 0.05 N 0.04 Y 0.04 G 0.01 C Shift Assignments>> C :: 176.077 CA :: 53.800 CB :: 42.213 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.281 HA :: 5.023 HB2 :: 2.982 HB3 :: 2.799 HD21 :: 7.033 HD22 :: 7.621 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.635 ND2 :: 112.617 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 C Shift Assignments>> C :: 172.124 CA :: 47.158 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.867 HA2 :: 4.269 HA3 :: 3.975 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.977 Ave N Shift Values>> N :: 109.91(4.29) 1.Y172 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 :: 172.979 CA :: 58.183 CB :: 41.309 CD1 :: 133.009 CD2 :: 133.009 CE1 :: 118.125 CE2 :: 118.125 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.002 HA :: 4.651 HB2 :: 2.678 HB3 :: 2.419 HD1 :: 6.983 HD2 :: 6.983 HE1 :: 6.752 HE2 :: 6.752 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.874 Ave N Shift Values>> N :: 120.79(4.69) 1.E173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 M 0.12 K 0.05 I 0.02 Q 0.02 C Shift Assignments>> C :: 174.407 CA :: 54.783 CB :: 30.481 CG :: 36.705 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.251 HA :: 4.624 HB2 :: 2.081 HB3 :: 1.963 HG2 :: 2.561 HG3 :: 2.308 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.470 Ave N Shift Values>> N :: 120.68(3.68) 1.N174 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.5 D 0.22 C 0.15 L 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.317 CA :: 50.694 CB :: 39.511 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.077 HA :: 4.451 HB2 :: 2.602 HB3 :: 3.363 HD21 :: 9.484(A) HD22 :: 6.045 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.971 ND2 :: 116.522 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.27 C Shift Assignments>> C :: 177.601 CA :: 63.951 CB :: 32.019 CG :: 27.068 CD :: 51.869 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.828 HB2 :: 1.888 HB3 :: 2.072 HG2 :: 1.990 HG3 :: 2.030 HD2 :: 4.117 HD3 :: 4.117 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.314 CA :: 62.686 CB :: 69.179 CG2 :: 22.337 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.891 HA :: 4.188 HB :: 4.300 HG21 :: 1.223 HG22 :: 1.223 HG23 :: 1.223 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.323 Ave N Shift Values>> N :: 115.7(5.05) 1.Y177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 176.722 CA :: 58.050 CB :: 38.808 CD1 :: 133.710 CD2 :: 133.710 CE1 :: 117.906 CE2 :: 117.906 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.990 HA :: 4.503 HB2 :: 3.352 HB3 :: 3.007 HD1 :: 7.274 HD2 :: 7.274 HE1 :: 6.959 HE2 :: 6.959 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.190 Ave N Shift Values>> N :: 120.79(4.69) 1.K178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.39 R 0.15 M 0.04 C Shift Assignments>> CA :: 57.516 CB :: 32.870 CG :: 24.202 CD :: 29.325 CE :: 41.964 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.115 HA :: 3.786 HB2 :: 1.356 HB3 :: 1.247 HG2 :: 0.759 HG3 :: 0.952 HD2 :: 1.425 HD3 :: 1.425 HE2 :: 2.797 HE3 :: 2.797 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.128 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 175.618 CA :: 57.558 CB :: 38.673 CD1 :: 131.697 CD2 :: 131.697 CE1 :: 131.328 CE2 :: 131.328 CZ :: 129.718 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.395 HA :: 4.531 HB2 :: 3.153 HB3 :: 2.778 HD1 :: 7.084 HD2 :: 7.084 HE1 :: 7.302 HE2 :: 7.302 HZ :: 6.906 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.F180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 176.072 CA :: 59.244 CB :: 39.693 CD1 :: 132.208 CD2 :: 132.208 CE1 :: 131.208 CE2 :: 131.208 CZ :: 129.651 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.723 HA :: 4.365 HB2 :: 3.110 HB3 :: 2.951 HD1 :: 7.233 HD2 :: 7.233 HE1 :: 7.285 HE2 :: 7.285 HZ :: 7.271 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.174 Ave N Shift Values>> N :: 120.69(4.18) 1.E181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.08 K 0.07 I 0.06 Q 0.03 C Shift Assignments>> C :: 176.108 CA :: 56.996 CB :: 30.158 CG :: 36.376 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.203 HA :: 4.033 HB2 :: 1.778 HB3 :: 1.950 HG2 :: 2.031 HG3 :: 1.957 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.687 Ave N Shift Values>> N :: 120.68(3.68) 1.Q182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.12 M 0.08 R 0.04 C Shift Assignments>> C :: 176.065 CA :: 56.048 CB :: 29.436 CG :: 33.910 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.026 HA :: 4.212 HB2 :: 2.088 HB3 :: 1.954 HG2 :: 2.341 HG3 :: 2.341 HE21 :: 7.562 HE22 :: 6.837 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.869 NE2 :: 112.368 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.39 A 0.14 HN Overlap>> 1.A128 1.Q127 1.A128 1.Q127 C Shift Assignments>> C :: 176.022 CA :: 55.661 CB :: 32.845 CG :: 32.019 CE :: 17.167 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.231 HA :: 4.406 HB2 :: 2.053 HB3 :: 1.989 HG2 :: 2.565 HG3 :: 2.487 HE1 :: 2.044 HE2 :: 2.044 HE3 :: 2.044 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.216 Ave N Shift Values>> N :: 120.1(3.88) 1.Q184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.11 M 0.09 R 0.04 C Shift Assignments>> C :: 174.811 CA :: 55.697 CB :: 29.553 CG :: 33.746 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.303 HA :: 4.316 HB2 :: 1.944 HB3 :: 2.099 HG2 :: 2.306 HG3 :: 2.306 HE21 :: 7.505 HE22 :: 6.807 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.612 NE2 :: 113.001 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.14 N 0.13 C 0.13 F 0.11 Y 0.11 K 0.06 C Shift Assignments>> C :: 179.459 CA :: 54.783 CB :: 40.404 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.050 HA :: 4.453 HB2 :: 2.626 HB3 :: 2.744 HD21 :: 6.783 HD22 :: 7.492 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.732 ND2 :: 112.756 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 173 #Clerical: 0 #Suspicious: 10 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 167 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 18 Shift Relative Order (SRO) Results: #Consistent: 183 #Suspicious: 2 C Shift Results: #Consistent: 726 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1130 #Duplicate: 0 #Unknown: 0 #Suspicious: 16 #Anomalous: 2 N Shift Results: #Consistent: 178 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q21 HA = 5.782(S), Expected = 4.28, Std = 0.4400, ChiSquare = 6.4102e-04 1.L23 HG = -0.889(S), Expected = 1.54, Std = 0.3300, ChiSquare = 1.8308e-13 1.G24 H = 5.509(S), Expected = 8.34, Std = 0.7400, ChiSquare = 1.3041e-04 1.G24 HA2 = 2.282(S), Expected = 3.95, Std = 0.4000, ChiSquare = 3.0460e-05 1.G33 H = 3.372(S), Expected = 8.34, Std = 0.7400, ChiSquare = 1.8999e-11 1.G33 SRO Rule Break>> H > HA2 : 0.99798460974716 1.K50 HA = 1.301(S), Expected = 4.28, Std = 0.4500, ChiSquare = 3.5920e-11 1.K50 HB2 = 0.878(S), Expected = 1.79, Std = 0.2500, ChiSquare = 2.6429e-04 1.K50 HB3 = 0.710(S), Expected = 1.78, Std = 0.2600, ChiSquare = 3.8653e-05 1.K50 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K50 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.F84 HB2 = 4.455(A), Expected = 2.99, Std = 0.3700, ChiSquare = 7.5120e-05 1.S86 HB3 = 2.264(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.2112e-07 1.H95 HB2 = 0.635(S), Expected = 3.12, Std = 0.4300, ChiSquare = 7.5115e-09 1.H95 HB3 = 1.454(S), Expected = 3.11, Std = 0.4500, ChiSquare = 2.3323e-04 1.A98 CB = 25.242(S), Expected = 18.90, Std = 1.8500, ChiSquare = 6.0780e-04 1.V122 HA = 2.174(S), Expected = 4.16, Std = 0.5700, ChiSquare = 4.9359e-04 1.V122 HG11 = -0.173(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7553e-04 1.V122 HG12 = -0.173(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7553e-04 1.V122 HG13 = -0.173(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7553e-04 1.Q127 HG3 = 0.912(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.2028e-06 1.N174 HD21 = 9.484(A), Expected = 7.27, Std = 0.5200, ChiSquare = 2.0655e-05