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 0.64 C 0.35 C Shift Assignments>> CA :: 61.566 CB :: 30.828 CG :: 27.179 CD :: 49.805 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 :: 4.712 HB2 :: 2.333 HB3 :: 1.898 HG2 :: 2.039 HG3 :: 2.039 HD2 :: 3.623 HD3 :: 3.592 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.P9 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>> CA :: 63.108 CB :: 32.165 CG :: 27.416 CD :: 50.473 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 :: 4.436 HB2 :: 2.304 HB3 :: 1.924 HG2 :: 2.038 HG3 :: 2.038 HD2 :: 3.814 HD3 :: 3.652 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.K10 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 G 0.01 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> CA :: 56.713 CB :: 32.972 CG :: 24.860 CD :: 29.197 CE :: 42.217 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 :: 8.504 HA :: 4.278 HB2 :: 1.837 HB3 :: 1.772 HG2 :: 1.486 HG3 :: 1.446 HD2 :: 1.699 HD3 :: 1.699 HE2 :: 3.013 HE3 :: 3.013 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 :: 121.321 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.689 CB :: 63.835 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.199 HA :: 4.473 HB2 :: 3.923 HB3 :: 3.809 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 :: 115.684 Ave N Shift Values>> N :: 116.3(3.95) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.25 K 0.23 M 0.12 E 0.05 R 0.04 C Shift Assignments>> CA :: 53.698 CB :: 29.611 CG :: 33.475 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 :: 8.337 HA :: 4.653 HB2 :: 2.114 HB3 :: 2.049 HG2 :: 2.428 HG3 :: 2.428 HE21 :: 7.805 HE22 :: 6.936 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 :: 123.607 NE2 :: 113.511 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.379 CA :: 62.285 CB :: 32.741 CG :: 27.205 CD :: 50.680 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 :: 4.650 HB2 :: 2.286 HB3 :: 1.934 HG2 :: 2.037 HG3 :: 2.037 HD2 :: 3.872 HD3 :: 3.728 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.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 174.162 CA :: 63.002 CB :: 32.494 CG1 :: 22.112 CG2 :: 22.112 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 :: 8.359 HA :: 4.007 HB :: 2.111 HG11 :: 1.184 HG12 :: 1.184 HG13 :: 1.184 HG21 :: 1.184 HG22 :: 1.184 HG23 :: 1.184 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 :: 119.287 Ave N Shift Values>> N :: 121.02(4.96) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.61 T 0.38 C Shift Assignments>> C :: 173.361 CA :: 59.232 CB :: 66.637 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.247 HA :: 4.758 HB2 :: 3.998 HB3 :: 3.807 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 :: 118.726 Ave N Shift Values>> N :: 116.3(3.95) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 C 0.07 A 0.04 C Shift Assignments>> C :: 175.024 CA :: 51.481 CB :: 45.230 CG :: 25.972 CD1 :: 25.597 CD2 :: 23.075 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 :: 8.099 HA :: 4.717 HB2 :: 1.652 HB3 :: 1.210 HG :: 1.632 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 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 :: 124.088 Ave N Shift Values>> N :: 121.98(4.07) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 177.768 CA :: 64.827 CB :: 30.374 CG :: 27.319 CD :: 49.930 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 :: 3.376 HB2 :: 1.877 HB3 :: 1.747 HG2 :: 2.169 HG3 :: 1.682 HD2 :: 3.761 HD3 :: 3.253 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.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.23 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.606 CA :: 59.601 CB :: 29.089 CG :: 36.284 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 :: 8.817 HA :: 4.037 HB2 :: 2.012 HB3 :: 1.937 HG2 :: 2.189 HG3 :: 2.189 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 :: 115.156 Ave N Shift Values>> N :: 120.68(3.68) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.1 M 0.07 K 0.06 Q 0.03 C Shift Assignments>> C :: 177.768 CA :: 58.167 CB :: 30.330 CG :: 36.386 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 :: 6.977 HA :: 3.909 HB2 :: 2.688 HB3 :: 1.652 HG2 :: 2.267 HG3 :: 2.184 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 :: 117.128 Ave N Shift Values>> N :: 120.68(3.68) 1.L20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 C 0.31 R 0.08 G 0.05 A 0.03 C Shift Assignments>> C :: 179.103 CA :: 56.125 CB :: 42.908 CG :: 26.682 CD1 :: 22.336 CD2 :: 24.999 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 :: 6.583 HA :: 3.916 HB2 :: 1.111 HB3 :: 1.502 HG :: 1.098 HD11 :: -0.237(S) HD12 :: -0.237(S) HD13 :: -0.237(S) HD21 :: -0.439(S) HD22 :: -0.439(S) HD23 :: -0.439(S) 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 :: 117.243 Ave N Shift Values>> N :: 121.98(4.07) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 C 0.2 F 0.17 D 0.14 N 0.13 L 0.05 I 0.03 E 0.02 C Shift Assignments>> C :: 177.598 CA :: 55.834 CB :: 39.063 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 :: 8.581 HA :: 4.425 HB2 :: 2.874 HB3 :: 2.654 HD21 :: 7.107 HD22 :: 6.773 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 :: 114.773 ND2 :: 113.946 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.37 G 0.21 K 0.03 C Shift Assignments>> C :: 177.975 CA :: 59.618 CB :: 30.935 CG :: 27.652 CD :: 44.138 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 :: 7.342 HA :: 4.126 HB2 :: 1.958 HB3 :: 1.898 HG2 :: 2.077 HG3 :: 1.695 HD2 :: 3.270 HD3 :: 3.270 HE :: 7.418 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 :: 118.612 NE :: 85.200 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.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.16 A 0.01 C Shift Assignments>> C :: 173.009 CA :: 59.074 CB :: 30.887 CG1 :: 24.504 CG2 :: 20.399 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 :: 7.299 HA :: 4.625 HB :: 2.906 HG11 :: 1.009 HG12 :: 1.009 HG13 :: 1.009 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 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 :: 106.737 Ave N Shift Values>> N :: 121.02(4.96) 1.R24 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 K 0.28 R 0.28 C Shift Assignments>> C :: 176.323 CA :: 53.771 CB :: 31.051 CG :: 27.087 CD :: 41.282 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 :: 7.058 HA :: 4.975 HB2 :: 1.827 HB3 :: 1.398 HG2 :: 0.799 HG3 :: 0.799 HD2 :: 2.700 HD3 :: 1.653(S) HE :: 6.877 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 :: 122.104 NE :: 82.271 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.22 R 0.17 G 0.13 A 0.05 C Shift Assignments>> C :: 175.862 CA :: 52.847 CB :: 43.254 CG :: 26.940 CD1 :: 27.564 CD2 :: 23.301 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 :: 8.810 HA :: 4.629 HB2 :: 1.730 HB3 :: 1.084 HG :: 1.787 HD11 :: 1.060 HD12 :: 1.060 HD13 :: 1.060 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 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 :: 127.147 Ave N Shift Values>> N :: 121.98(4.07) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.421 CA :: 56.598 CB :: 63.931 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.038 HA :: 4.283 HB2 :: 4.576 HB3 :: 4.102 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 :: 118.621 Ave N Shift Values>> N :: 116.3(3.95) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 G 0.14 K 0.04 C Shift Assignments>> C :: 178.509 CA :: 60.355 CB :: 29.373 CG :: 28.173 CD :: 43.525 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 :: 7.341 HA :: 3.669 HB2 :: 1.761 HB3 :: 1.666 HG2 :: 1.699 HG3 :: 1.668 HD2 :: 3.477 HD3 :: 3.216 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 :: 123.790 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.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 C 0.32 H 0.28 C Shift Assignments>> C :: 177.987 CA :: 59.140 CB :: 30.673 CD2 :: 119.913 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 :: 8.033 HA :: 4.293 HB2 :: 2.985 HB3 :: 2.985 HD2 :: 6.954 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 :: 116.022 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.22 M 0.01 C Shift Assignments>> C :: 177.404 CA :: 59.149 CB :: 31.678 CG :: 24.913 CD :: 29.003 CE :: 41.955 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 :: 7.407 HA :: 3.377 HB2 :: 1.347 HB3 :: 0.801(S) HG2 :: 0.737 HG3 :: 0.623 HD2 :: 1.234 HD3 :: 1.234 HE2 :: 2.721 HE3 :: 2.721 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 :: 119.612 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.27 L 0.22 K 0.05 C Shift Assignments>> C :: 178.278 CA :: 58.419 CB :: 41.847 CG :: 26.443 CD1 :: 28.169 CD2 :: 24.042 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 :: 7.370 HA :: 3.963 HB2 :: 2.094 HB3 :: 1.449 HG :: 1.951 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 HD21 :: 1.008 HD22 :: 1.008 HD23 :: 1.008 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 :: 116.025 Ave N Shift Values>> N :: 121.98(4.07) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.15 K 0.1 Q 0.06 M 0.02 C Shift Assignments>> C :: 178.108 CA :: 59.384 CB :: 29.362 CG :: 35.795 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 :: 8.559 HA :: 3.684 HB2 :: 2.073 HB3 :: 1.927 HG2 :: 2.258 HG3 :: 1.989 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 :: 117.989 Ave N Shift Values>> N :: 120.68(3.68) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.07 K 0.07 L 0.01 C Shift Assignments>> C :: 179.310 CA :: 58.205 CB :: 29.857 CG :: 27.323 CD :: 43.371 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 :: 7.349 HA :: 4.142 HB2 :: 1.862 HB3 :: 1.785 HG2 :: 1.722 HG3 :: 1.685 HD2 :: 3.130 HD3 :: 3.130 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 :: 116.654 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.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 W 0.4 C Shift Assignments>> C :: 178.545 CA :: 55.401 CB :: 31.798 CD1 :: 123.006 CE3 :: 118.461 CZ2 :: 114.884 CZ3 :: 121.366 CH2 :: 124.029 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 :: 7.957 HA :: 5.049 HB2 :: 3.531 HB3 :: 3.377 HD1 :: 7.107 HE1 :: 10.134 HE3 :: 7.169 HZ2 :: 7.438 HZ3 :: 6.823 HH2 :: 7.081 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 :: 116.929 NE1 :: 126.426 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.44 P 0.18 C 0.13 R 0.07 K 0.04 W 0.03 L 0.01 Q 0.01 V 0.01 H 0.01 E 0.01 C Shift Assignments>> C :: 173.907 CA :: 61.399 CB :: 26.078 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.458 HA :: 2.369(S) HB2 :: 2.571 HB3 :: 2.002 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 :: 116.375 Ave N Shift Values>> N :: 119.95(4.79) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.34 C 0.29 HN Overlap>> 1.M120 1.M120 C Shift Assignments>> C :: 176.445 CA :: 55.336 CB :: 30.433 CD2 :: 119.913 CE1 :: 139.374 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 :: 8.240 HA :: 4.855 HB2 :: 3.280 HB3 :: 2.847 HD2 :: 7.039 HE1 :: 8.072 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 :: 118.956 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.32 C 0.23 C Shift Assignments>> C :: 177.185 CA :: 53.037 CB :: 31.010 CG :: 32.806 CE :: 17.744 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 :: 8.086 HA :: 4.703 HB2 :: 1.575 HB3 :: 1.259 HG2 :: 2.705 HG3 :: 2.625 HE1 :: 2.193 HE2 :: 2.193 HE3 :: 2.193 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 :: 120.889 Ave N Shift Values>> N :: 120.1(3.88) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 62.308 CB :: 31.580 CG :: 27.650 CD :: 50.784 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 :: 4.674 HB2 :: 2.355 HB3 :: 1.946 HG2 :: 2.138 HG3 :: 2.062 HD2 :: 3.936 HD3 :: 3.730 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.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 F 0.45 C Shift Assignments>> C :: 176.335 CA :: 55.799 CB :: 37.250 CD1 :: 131.491 CD2 :: 131.491 CE1 :: 131.569 CE2 :: 131.569 CZ :: 130.520 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>> HA :: 4.857 HB2 :: 3.294 HB3 :: 3.002 HD1 :: 7.002 HD2 :: 7.002 HE1 :: 6.801 HE2 :: 6.801 HZ :: 6.975 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.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 175.655 CA :: 62.527 CB :: 39.251 CD1 :: 132.615 CD2 :: 132.615 CE1 :: 130.600 CE2 :: 130.600 CZ :: 127.903 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 :: 7.468 HA :: 3.891 HB2 :: 3.586 HB3 :: 2.971 HD1 :: 7.271 HD2 :: 7.271 HE1 :: 7.247 HE2 :: 7.247 HZ :: 7.020 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 :: 123.416 Ave N Shift Values>> N :: 120.69(4.18) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.19 I 0.09 C 0.03 V 0.01 C Shift Assignments>> C :: 179.905 CA :: 56.230 CB :: 17.964 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.844 HA :: 3.709 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.149 Ave N Shift Values>> N :: 123.23(3.7) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.02 C Shift Assignments>> C :: 178.351 CA :: 58.652 CB :: 32.288 CG :: 24.873 CD :: 29.290 CE :: 42.119 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 :: 8.420 HA :: 4.005 HB2 :: 1.891 HB3 :: 1.800 HG2 :: 1.440 HG3 :: 1.440 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.959 HE3 :: 2.959 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 :: 118.397 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.923 CA :: 66.772 CB :: 68.652 CG2 :: 21.014 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 :: 7.874 HA :: 3.792 HB :: 3.838 HG21 :: 0.619 HG22 :: 0.619 HG23 :: 0.619 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 :: 114.353 Ave N Shift Values>> N :: 115.7(5.05) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 V 0.48 I 0.01 C Shift Assignments>> C :: 176.602 CA :: 63.506 CB :: 30.591 CG1 :: 21.874 CG2 :: 17.402 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 :: 7.969 HA :: 4.207 HB :: 2.003 HG11 :: 0.737 HG12 :: 0.737 HG13 :: 0.737 HG21 :: 0.245 HG22 :: 0.245 HG23 :: 0.245 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 :: 109.743 Ave N Shift Values>> N :: 121.02(4.96) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 174.902 CA :: 66.672 CB :: 68.092 CG2 :: 20.880 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 :: 7.125 HA :: 3.520 HB :: 4.014 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 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 :: 118.042 Ave N Shift Values>> N :: 115.7(5.05) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 174.976 CA :: 44.994 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.215 HA2 :: 4.415 HA3 :: 3.879 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.830 Ave N Shift Values>> N :: 109.91(4.29) 1.C46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 C 0.14 R 0.11 W 0.11 K 0.08 Q 0.06 E 0.06 H 0.05 P 0.04 L 0.02 C Shift Assignments>> C :: 171.843 CA :: 60.196 CB :: 27.821 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.887 HA :: 4.831 HB2 :: 3.306 HB3 :: 3.306 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 :: 114.936 Ave N Shift Values>> N :: 119.95(4.79) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.3 G 0.13 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 175.170 CA :: 56.542 CB :: 43.371 CD1 :: 131.169 CD2 :: 131.169 CE1 :: 131.176 CE2 :: 131.176 CZ :: 129.796 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 :: 8.607 HA :: 5.629 HB2 :: 2.888 HB3 :: 2.674 HD1 :: 6.820 HD2 :: 6.820 HE1 :: 7.106 HE2 :: 7.106 HZ :: 7.361 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 :: 117.433 Ave N Shift Values>> N :: 120.69(4.18) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.07 V 0.07 A 0.01 C Shift Assignments>> C :: 172.887 CA :: 59.131 CB :: 36.779 CG1 :: 23.725 CG2 :: 20.551 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 :: 9.493 HA :: 4.758 HB :: 2.161 HG11 :: 1.054 HG12 :: 1.054 HG13 :: 1.054 HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 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 :: 109.145 Ave N Shift Values>> N :: 121.02(4.96) 1.R49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 R 0.34 K 0.14 G 0.12 C Shift Assignments>> C :: 174.053 CA :: 55.289 CB :: 31.016 CG :: 29.445 CD :: 43.618 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 :: 9.062 HA :: 5.092 HB2 :: 1.813 HB3 :: 1.261 HG2 :: 1.286 HG3 :: 1.286 HD2 :: 2.473 HD3 :: 2.350(S) HE :: 9.673(S) 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 :: 124.192 NE :: 87.679 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.I50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 A 0.43 G 0.07 I 0.03 C Shift Assignments>> C :: 173.336 CA :: 55.517 CB :: 42.944 CG1 :: 27.722 CG2 :: 18.717 CD1 :: 16.037 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 :: 9.226 HA :: 4.880 HB :: 1.052 HG12 :: 0.715 HG13 :: -0.313(S) HG21 :: 0.477 HG22 :: 0.477 HG23 :: 0.477 HD11 :: 0.478 HD12 :: 0.478 HD13 :: 0.478 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 :: 126.839 Ave N Shift Values>> N :: 121.6(4.72) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.05 C Shift Assignments>> C :: 173.276 CA :: 46.558 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.492 HA2 :: 4.067 HA3 :: 3.399 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.697 Ave N Shift Values>> N :: 109.91(4.29) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.899 CA :: 60.118 CB :: 38.736 CG1 :: 26.725 CG2 :: 18.388 CD1 :: 13.605 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 :: 7.937 HA :: 4.355 HB :: 1.917 HG12 :: 1.030 HG13 :: 0.691 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 HD11 :: 0.566 HD12 :: 0.566 HD13 :: 0.566 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 :: 118.543 Ave N Shift Values>> N :: 121.6(4.72) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.523 CA :: 44.370 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.988 HA2 :: 4.123 HA3 :: 3.679 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.878 Ave N Shift Values>> N :: 109.91(4.29) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.3 C 0.12 L 0.1 F 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 175.388 CA :: 52.382 CB :: 40.363 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 :: 8.364 HA :: 5.000 HB2 :: 2.564 HB3 :: 2.403 HD21 :: 7.415 HD22 :: 6.730 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 :: 117.855 ND2 :: 112.460 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 H 0.32 W 0.28 C Shift Assignments>> CA :: 56.760 CB :: 32.025 CD2 :: 119.275 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>> HA :: 4.580 HB2 :: 2.961 HB3 :: 2.961 HD2 :: 6.931 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) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.25 Y 0.1 E 0.09 F 0.06 D 0.06 M 0.04 K 0.01 C Shift Assignments>> CA :: 54.036 CB :: 37.354 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>> HA :: 4.384 HB2 :: 2.905 HB3 :: 2.577 HD21 :: 7.470 HD22 :: 6.801 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>> ND2 :: 112.251 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.594 CB :: 62.901 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.345 HA :: 4.121 HB2 :: 4.055 HB3 :: 4.008 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 :: 109.180 Ave N Shift Values>> N :: 116.3(3.95) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.42 M 0.03 C Shift Assignments>> CA :: 53.507 CB :: 33.482 CG :: 24.761 CD :: 29.202 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 :: 7.867 HA :: 4.786 HB2 :: 1.855 HB3 :: 1.764 HG2 :: 1.440 HG3 :: 1.440 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 :: 122.038 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P59 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 :: 176.384 CA :: 63.181 CB :: 32.388 CG :: 27.554 CD :: 50.668 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 :: 4.492 HB2 :: 2.046 HB3 :: 1.632 HG2 :: 2.127 HG3 :: 2.029 HD2 :: 3.826 HD3 :: 3.698 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.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.W116 1.W116 C Shift Assignments>> C :: 174.380 CA :: 61.494 CB :: 34.164 CG1 :: 21.636 CG2 :: 21.196 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 :: 7.960 HA :: 4.151 HB :: 1.738 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 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 :: 121.743 Ave N Shift Values>> N :: 121.02(4.96) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.38 G 0.02 C Shift Assignments>> C :: 175.522 CA :: 56.486 CB :: 42.342 CD1 :: 133.263 CD2 :: 133.263 CE1 :: 117.968 CE2 :: 117.968 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 :: 8.789 HA :: 5.409 HB2 :: 2.844 HB3 :: 2.557 HD1 :: 6.821 HD2 :: 6.821 HE1 :: 6.782 HE2 :: 6.782 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 :: 123.976 Ave N Shift Values>> N :: 120.79(4.69) 1.R62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 G 0.2 R 0.1 K 0.09 C Shift Assignments>> C :: 175.437 CA :: 53.774 CB :: 34.960 CG :: 26.694 CD :: 43.480 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 :: 8.772 HA :: 4.770 HB2 :: 1.504 HB3 :: 1.296 HG2 :: 1.284 HG3 :: 1.241 HD2 :: 2.186(S) HD3 :: 2.012(S) 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 :: 115.891 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.V63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.619 CA :: 62.265 CB :: 32.782 CG1 :: 21.158 CG2 :: 19.806 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 :: 8.406 HA :: 3.965 HB :: 1.592 HG11 :: -0.573(S) HG12 :: -0.573(S) HG13 :: -0.573(S) HG21 :: -0.002 HG22 :: -0.002 HG23 :: -0.002 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 :: 120.891 Ave N Shift Values>> N :: 121.02(4.96) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.21 K 0.12 P 0.07 M 0.04 A 0.04 R 0.02 C Shift Assignments>> C :: 174.150 CA :: 51.235 CB :: 24.064 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.832 HA :: 5.016 HB1 :: 1.184 HB2 :: 1.184 HB3 :: 1.184 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.022 Ave N Shift Values>> N :: 123.23(3.7) 1.E65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.36 C 0.36 E 0.16 Q 0.08 K 0.01 C Shift Assignments>> C :: 176.360 CA :: 54.401 CB :: 32.267 CG :: 35.080 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 :: 8.769 HA :: 3.526 HB2 :: 1.768 HB3 :: 1.533 HG2 :: 1.592(S) HG3 :: 1.287(S) 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 :: 123.436 Ave N Shift Values>> N :: 120.68(3.68) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 177.197 CA :: 61.662 CB :: 37.067 CG1 :: 27.179 CG2 :: 18.979 CD1 :: 14.164 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 :: 8.994 HA :: 4.523 HB :: 2.167 HG12 :: 1.532 HG13 :: 0.750 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 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 :: 126.144 Ave N Shift Values>> N :: 121.6(4.72) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.660 CA :: 61.353 CB :: 68.592 CG2 :: 22.208 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 :: 9.478 HA :: 4.623 HB :: 4.404 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 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 :: 121.255 Ave N Shift Values>> N :: 115.7(5.05) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 170.411 CA :: 45.211 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.694 HA2 :: 4.157 HA3 :: 4.028 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.336 Ave N Shift Values>> N :: 109.91(4.29) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.109 CA :: 61.673 CB :: 34.845 CG1 :: 21.848 CG2 :: 22.080 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 :: 8.704 HA :: 4.818 HB :: 1.933 HG11 :: 1.196 HG12 :: 1.196 HG13 :: 1.196 HG21 :: 0.682 HG22 :: 0.682 HG23 :: 0.682 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 :: 120.840 Ave N Shift Values>> N :: 121.02(4.96) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.27 A 0.01 C Shift Assignments>> C :: 174.745 CA :: 58.948 CB :: 35.265 CG1 :: 21.143 CG2 :: 19.421 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 :: 8.647 HA :: 4.734 HB :: 2.062 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 0.601 HG22 :: 0.601 HG23 :: 0.601 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 :: 121.008 Ave N Shift Values>> N :: 121.02(4.96) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.39 M 0.1 I 0.05 K 0.04 Q 0.01 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 176.748 CA :: 56.194 CB :: 30.590 CG :: 36.911 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 :: 8.549 HA :: 4.567 HB2 :: 1.920 HB3 :: 1.920 HG2 :: 2.278 HG3 :: 2.177 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 :: 121.414 Ave N Shift Values>> N :: 120.68(3.68) 1.T72 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 :: 174.296 CA :: 61.064 CB :: 70.400 CG2 :: 20.648 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 :: 8.370 HA :: 4.635 HB :: 4.512 HG21 :: 1.100 HG22 :: 1.100 HG23 :: 1.100 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 :: 115.581 Ave N Shift Values>> N :: 115.7(5.05) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.31 C 0.03 L 0.01 HN Overlap>> 1.K117 1.K117 C Shift Assignments>> C :: 177.525 CA :: 53.721 CB :: 19.465 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.396 HA :: 4.224 HB1 :: 1.467 HB2 :: 1.467 HB3 :: 1.467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.939 Ave N Shift Values>> N :: 123.23(3.7) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.17 M 0.01 G 0.01 C Shift Assignments>> C :: 174.915 CA :: 54.784 CB :: 35.401 CG :: 24.727 CD :: 29.115 CE :: 42.217 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 :: 7.712 HA :: 4.654 HB2 :: 1.806 HB3 :: 1.691 HG2 :: 1.395 HG3 :: 1.395 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 2.997 HE3 :: 2.997 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 :: 116.820 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 175.231 CA :: 61.931 CB :: 32.130 CG1 :: 22.103 CG2 :: 22.093 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 :: 8.196 HA :: 3.949 HB :: 1.810 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 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 :: 122.785 Ave N Shift Values>> N :: 121.02(4.96) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 Y 0.11 C Shift Assignments>> C :: 172.754 CA :: 54.935 CB :: 41.064 CD1 :: 135.651 CD2 :: 135.651 CE1 :: 116.648 CE2 :: 116.648 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 :: 8.758 HA :: 4.995 HB2 :: 3.129 HB3 :: 2.793 HD1 :: 7.161 HD2 :: 7.161 HE1 :: 6.524 HE2 :: 6.524 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 :: 124.594 Ave N Shift Values>> N :: 120.79(4.69) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 K 0.25 C 0.24 M 0.09 R 0.07 E 0.07 C Shift Assignments>> C :: 174.575 CA :: 55.983 CB :: 29.359 CG :: 33.238 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 :: 8.551 HA :: 4.174 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.371 HG3 :: 2.342 HE21 :: 7.481 HE22 :: 6.809 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 :: 119.990 NE2 :: 112.764 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 L 0.24 G 0.23 R 0.2 A 0.05 C Shift Assignments>> C :: 174.514 CA :: 52.699 CB :: 43.555 CG :: 27.639 CD1 :: 23.459 CD2 :: 27.563 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 :: 8.843 HA :: 4.582 HB2 :: 1.633 HB3 :: 0.967 HG :: 1.390 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 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 :: 130.604 Ave N Shift Values>> N :: 121.98(4.07) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.24 P 0.03 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 175.923 CA :: 47.501 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.716 HA2 :: 4.099 HA3 :: 3.549 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.173 Ave N Shift Values>> N :: 109.91(4.29) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.858 CA :: 45.495 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.220 HA2 :: 4.260 HA3 :: 3.676 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.332 Ave N Shift Values>> N :: 109.91(4.29) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.27 A 0.03 C Shift Assignments>> C :: 171.758 CA :: 59.535 CB :: 70.806 CG2 :: 18.732 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 :: 8.144 HA :: 4.806 HB :: 4.127 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 :: 117.376 Ave N Shift Values>> N :: 115.7(5.05) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.34 K 0.17 G 0.09 C Shift Assignments>> C :: 175.146 CA :: 54.652 CB :: 32.892 CG :: 27.416 CD :: 43.396 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 :: 8.272 HA :: 4.971 HB2 :: 1.430 HB3 :: 1.430 HG2 :: 1.468 HG3 :: 1.304 HD2 :: 3.130 HD3 :: 2.983 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 :: 120.662 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.T83 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 169.828 CA :: 69.270(A) CB :: 69.308 CG2 :: 18.466 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 :: 8.381 HA :: 4.782 HB :: 3.882 HG21 :: 0.603 HG22 :: 0.603 HG23 :: 0.603 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 :: 116.314 Ave N Shift Values>> N :: 115.7(5.05) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.2 C 0.14 Y 0.04 F 0.04 L 0.03 C Shift Assignments>> C :: 178.035 CA :: 51.719 CB :: 39.115 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 :: 7.711 HA :: 5.339 HB2 :: 3.302 HB3 :: 2.350 HD21 :: 7.516 HD22 :: 7.060 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 :: 121.019 ND2 :: 110.643 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 K 0.27 G 0.02 C Shift Assignments>> C :: 175.935 CA :: 57.512 CB :: 34.412 CG :: 26.374 CD :: 28.886 CE :: 42.674 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 :: 8.488 HA :: 4.758 HB2 :: 1.786 HB3 :: 1.657 HG2 :: 1.456 HG3 :: 1.456 HD2 :: 1.536 HD3 :: 1.415 HE2 :: 3.026 HE3 :: 2.927 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 :: 122.422 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 171.746 CA :: 43.354 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.345 HA2 :: 4.700 HA3 :: 3.129 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.695 Ave N Shift Values>> N :: 109.91(4.29) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.19 C 0.16 A 0.11 R 0.04 C Shift Assignments>> C :: 175.704 CA :: 52.697 CB :: 43.662 CG :: 26.470 CD1 :: 26.241 CD2 :: 22.582 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 :: 9.070 HA :: 5.091 HB2 :: 1.791 HB3 :: 1.366 HG :: 1.843 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.951 HD22 :: 0.951 HD23 :: 0.951 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 :: 118.162 Ave N Shift Values>> N :: 121.98(4.07) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.23 Q 0.2 K 0.16 M 0.1 I 0.01 R 0.01 C Shift Assignments>> C :: 173.774 CA :: 56.218 CB :: 29.815 CG :: 34.923 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 :: 8.667 HA :: 4.371 HB2 :: 1.818 HB3 :: 1.612 HG2 :: 1.926 HG3 :: 1.751 HE21 :: 7.158 HE22 :: 6.682 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 :: 125.080 NE2 :: 110.718 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.26 L 0.2 R 0.1 C Shift Assignments>> C :: 176.493 CA :: 52.726 CB :: 44.072 CG :: 25.488 CD1 :: 25.972 CD2 :: 27.407 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 :: 8.993 HA :: 5.548 HB2 :: 2.000 HB3 :: 1.044 HG :: 1.809 HD11 :: 0.474 HD12 :: 0.474 HD13 :: 0.474 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 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 :: 126.270 Ave N Shift Values>> N :: 121.98(4.07) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.3 R 0.08 K 0.05 C Shift Assignments>> C :: 175.971 CA :: 54.794 CB :: 34.930 CG :: 27.496 CD :: 44.134 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 :: 9.684 HA :: 5.489 HB2 :: 1.851 HB3 :: 1.790 HG2 :: 1.654 HG3 :: 1.620 HD2 :: 3.202 HD3 :: 3.202 HE :: 6.884 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 :: 123.183 NE :: 82.465 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.H91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.34 C 0.27 C Shift Assignments>> C :: 174.708 CA :: 55.268 CB :: 29.848 CE1 :: 137.830 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 :: 9.381 HA :: 4.966 HB2 :: 2.912 HB3 :: 3.467 HD2 :: 7.069 HE1 :: 8.195 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 :: 132.514 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 172.997 CA :: 46.954 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.659 HA2 :: 3.523 HA3 :: 3.523 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.017 Ave N Shift Values>> N :: 109.91(4.29) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.19 C 0.16 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.048 CA :: 53.362 CB :: 38.877 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 :: 8.810 HA :: 4.624 HB2 :: 2.880 HB3 :: 2.799 HD21 :: 7.619 HD22 :: 6.921 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 :: 123.678 ND2 :: 111.099 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.21 D 0.14 C 0.1 K 0.09 F 0.04 G 0.03 Y 0.03 N 0.01 C Shift Assignments>> C :: 174.976 CA :: 54.323 CB :: 43.007 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 :: 7.922 HA :: 4.722 HB2 :: 3.200 HB3 :: 2.809 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 :: 121.195 Ave N Shift Values>> N :: 120.73(4.2) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.34 E 0.19 Q 0.07 K 0.01 C Shift Assignments>> C :: 174.138 CA :: 54.914 CB :: 32.370 CG :: 35.313 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 :: 8.597 HA :: 5.602 HB2 :: 2.002 HB3 :: 1.750 HG2 :: 2.027 HG3 :: 1.909 HE21 :: 7.435 HE22 :: 6.848 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 :: 127.782 NE2 :: 112.081 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 G 0.16 R 0.15 K 0.11 C Shift Assignments>> C :: 173.980 CA :: 54.874 CB :: 34.611 CG :: 26.729 CD :: 43.547 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 :: 8.523 HA :: 4.654 HB2 :: 1.774 HB3 :: 1.652 HG2 :: 1.519 HG3 :: 1.413 HD2 :: 3.009 HD3 :: 2.916 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 :: 123.895 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.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.372 CA :: 61.679 CB :: 32.639 CG1 :: 21.209 CG2 :: 22.479 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 :: 8.217 HA :: 4.968 HB :: 1.748 HG11 :: 0.590 HG12 :: 0.590 HG13 :: 0.590 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 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 :: 121.123 Ave N Shift Values>> N :: 121.02(4.96) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.25 F 0.23 C Shift Assignments>> C :: 176.250 CA :: 56.157 CB :: 44.566 CD1 :: 132.503 CD2 :: 132.503 CE1 :: 131.535 CE2 :: 131.535 CZ :: 128.925 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 :: 9.105 HA :: 5.091 HB2 :: 3.182 HB3 :: 2.590 HD1 :: 7.089 HD2 :: 7.089 HE1 :: 7.144 HE2 :: 7.144 HZ :: 6.993 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 :: 124.849 Ave N Shift Values>> N :: 120.69(4.18) 1.R99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 R 0.27 K 0.2 G 0.09 C Shift Assignments>> C :: 177.015 CA :: 57.695 CB :: 33.033 CG :: 28.486 CD :: 43.579 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 :: 9.130 HA :: 4.371 HB2 :: 1.770 HB3 :: 1.226 HG2 :: 1.905 HG3 :: 1.174 HD2 :: 2.670 HD3 :: 2.177(S) 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 :: 119.359 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.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.37 K 0.22 L 0.01 HN Overlap>> 1.F47 1.F47 C Shift Assignments>> C :: 176.894 CA :: 58.402 CB :: 42.015 CG :: 30.583 CD1 :: 25.253 CD2 :: 26.685 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 :: 8.606 HA :: 3.914 HB2 :: 2.009 HB3 :: 1.682 HG :: 1.874 HD11 :: 0.992 HD12 :: 0.992 HD13 :: 0.992 HD21 :: 0.996 HD22 :: 0.996 HD23 :: 0.996 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 :: 117.436 Ave N Shift Values>> N :: 121.98(4.07) 1.E101 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.26 Q 0.21 E 0.21 K 0.19 M 0.07 I 0.02 R 0.02 C Shift Assignments>> C :: 174.951 CA :: 57.549 CB :: 29.569 CG :: 34.586 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 :: 6.493 HA :: 3.947 HB2 :: 2.041 HB3 :: 1.592 HG2 :: 1.238(S) HG3 :: 0.843(A) 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 :: 110.617 Ave N Shift Values>> N :: 120.68(3.68) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.3 C 0.3 C Shift Assignments>> C :: 176.298 CA :: 58.502 CB :: 39.313 CD1 :: 131.084 CD2 :: 131.084 CE1 :: 131.789 CE2 :: 131.789 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 :: 6.831 HA :: 4.770 HB2 :: 3.892 HB3 :: 2.733 HD1 :: 7.368 HD2 :: 7.368 HE1 :: 7.332 HE2 :: 7.332 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 :: 115.692 Ave N Shift Values>> N :: 120.69(4.18) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 174.563 CA :: 64.048 CB :: 32.011 CG1 :: 21.725 CG2 :: 23.067 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 :: 7.558 HA :: 4.028 HB :: 2.032 HG11 :: 1.068 HG12 :: 1.068 HG13 :: 1.068 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 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 :: 124.050 Ave N Shift Values>> N :: 121.02(4.96) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.117 CA :: 56.959 CB :: 64.667 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.047 HA :: 4.592 HB2 :: 3.948 HB3 :: 3.525 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 :: 119.451 Ave N Shift Values>> N :: 116.3(3.95) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.18 D 0.18 Y 0.13 F 0.11 L 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 175.631 CA :: 54.500 CB :: 38.839 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>> HA :: 4.813 HB2 :: 3.004 HB3 :: 2.725 HD21 :: 7.564 HD22 :: 6.498 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>> ND2 :: 112.632 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 0.27 E 0.23 Q 0.18 M 0.15 K 0.13 C Shift Assignments>> C :: 173.057 CA :: 55.510 CB :: 30.310 CG :: 34.966 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 :: 8.083 HA :: 4.246 HB2 :: 2.025 HB3 :: 1.618 HG2 :: 2.308 HG3 :: 2.215 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 :: 121.760 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.11 K 0.08 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.894 CA :: 55.631 CB :: 30.268 CG :: 36.202 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 :: 7.695 HA :: 3.564 HB2 :: 1.768 HB3 :: 1.705 HG2 :: 2.116 HG3 :: 2.039 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 :: 114.909 Ave N Shift Values>> N :: 120.68(3.68) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 177.659 CA :: 56.487 CB :: 39.442 CD1 :: 131.662 CD2 :: 131.662 CE1 :: 131.259 CE2 :: 131.259 CZ :: 128.630 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 :: 7.949 HA :: 4.903 HB2 :: 3.085 HB3 :: 2.723 HD1 :: 6.991 HD2 :: 6.991 HE1 :: 7.012 HE2 :: 7.012 HZ :: 6.862 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 :: 115.291 Ave N Shift Values>> N :: 120.69(4.18) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.2 C Shift Assignments>> C :: 175.534 CA :: 59.795 CB :: 71.787 CG2 :: 21.372 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 :: 8.468 HA :: 4.515 HB :: 4.790 HG21 :: 1.309 HG22 :: 1.309 HG23 :: 1.309 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 :: 113.437 Ave N Shift Values>> N :: 115.7(5.05) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.32 E 0.25 K 0.03 M 0.01 C Shift Assignments>> C :: 178.606 CA :: 60.789 CB :: 29.517 CG :: 36.614 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 :: 9.152 HA :: 3.958 HB2 :: 2.231 HB3 :: 2.192 HG2 :: 2.356 HG3 :: 2.356 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 :: 121.329 Ave N Shift Values>> N :: 120.68(3.68) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.803 CA :: 61.574 CB :: 62.732 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.691 HA :: 4.311 HB2 :: 4.005 HB3 :: 3.956 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 :: 113.859 Ave N Shift Values>> N :: 116.3(3.95) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.23 K 0.07 Q 0.02 C Shift Assignments>> C :: 180.439 CA :: 58.873 CB :: 28.470 CG :: 36.531 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 :: 7.787 HA :: 4.105 HB2 :: 2.349 HB3 :: 1.936 HG2 :: 2.632 HG3 :: 2.224 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 :: 122.312 Ave N Shift Values>> N :: 120.68(3.68) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.2 C Shift Assignments>> C :: 176.202 CA :: 62.534 CB :: 40.257 CD1 :: 131.260 CD2 :: 131.260 CE1 :: 131.293 CE2 :: 131.293 CZ :: 128.954 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 :: 8.664 HA :: 4.044 HB2 :: 3.477 HB3 :: 2.820 HD1 :: 7.012 HD2 :: 7.012 HE1 :: 7.183 HE2 :: 7.183 HZ :: 6.855 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 :: 122.269 Ave N Shift Values>> N :: 120.69(4.18) 1.M114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.45 A 0.01 C Shift Assignments>> C :: 179.249 CA :: 58.422 CB :: 31.531 CG :: 32.658 CE :: 17.133 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 :: 8.912 HA :: 4.127 HB2 :: 2.355 HB3 :: 2.232 HG2 :: 2.908 HG3 :: 2.908 HE1 :: 2.207 HE2 :: 2.207 HE3 :: 2.207 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 :: 118.679 Ave N Shift Values>> N :: 120.1(3.88) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.25 M 0.01 G 0.01 C Shift Assignments>> C :: 179.480 CA :: 58.893 CB :: 32.168 CG :: 25.358 CD :: 28.621 CE :: 42.241 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 :: 8.343 HA :: 4.160 HB2 :: 2.065 HB3 :: 2.065 HG2 :: 1.736 HG3 :: 1.672 HD2 :: 1.767 HD3 :: 1.767 HE2 :: 3.021 HE3 :: 3.021 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 :: 120.099 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 C 0.34 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 176.262 CA :: 61.193 CB :: 27.261 CD1 :: 124.998 CE3 :: 119.671 CZ2 :: 113.915 CZ3 :: 121.256 CH2 :: 122.819 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 :: 7.931 HA :: 3.998 HB2 :: 3.409 HB3 :: 3.165 HD1 :: 6.525 HE1 :: 10.917 HE3 :: 6.821 HZ2 :: 7.467 HZ3 :: 6.446 HH2 :: 6.647 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 :: 121.811 NE1 :: 132.731 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K117 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 K 0.39 R 0.13 M 0.02 HN Overlap>> 1.A73 1.A73 C Shift Assignments>> C :: 178.715 CA :: 60.535 CB :: 31.644 CG :: 24.995 CD :: 30.084 CE :: 41.640 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 :: 8.396 HA :: 2.696(S) HB2 :: 1.534 HB3 :: 1.400 HG2 :: 1.045 HG3 :: 0.868 HD2 :: 1.578 HD3 :: 1.539 HE2 :: 2.901 HE3 :: 2.901 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 :: 119.934 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.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.21 K 0.07 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.873 CA :: 59.384 CB :: 29.391 CG :: 36.360 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 :: 7.783 HA :: 3.965 HB2 :: 2.135 HB3 :: 2.095 HG2 :: 2.429 HG3 :: 2.207 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 :: 117.885 Ave N Shift Values>> N :: 120.68(3.68) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 181.350 CA :: 55.026 CB :: 17.792 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.854 HA :: 4.076 HB1 :: 1.214 HB2 :: 1.214 HB3 :: 1.214 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.765 Ave N Shift Values>> N :: 123.23(3.7) 1.M120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 M 0.34 A 0.1 HN Overlap>> 1.H35 1.H35 C Shift Assignments>> C :: 178.132 CA :: 57.093 CB :: 29.823 CG :: 30.711 CE :: 18.733 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 :: 8.150 HA :: 3.854 HB2 :: 1.476 HB3 :: 1.359 HG2 :: 1.119(S) HG3 :: 0.454(S) HE1 :: 1.785 HE2 :: 1.785 HE3 :: 1.785 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 :: 119.017 Ave N Shift Values>> N :: 120.1(3.88) 1.F121 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 :: 180.949 CA :: 60.313 CB :: 38.078 CD1 :: 131.293 CD2 :: 131.293 CE1 :: 131.293 CE2 :: 131.293 CZ :: 129.663 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 :: 8.125 HA :: 4.303 HB2 :: 3.203 HB3 :: 3.110 HD1 :: 7.192 HD2 :: 7.192 HE1 :: 7.276 HE2 :: 7.276 HZ :: 7.263 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 :: 120.098 Ave N Shift Values>> N :: 120.69(4.18) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.303 CA :: 61.525 CB :: 62.777 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.670 HA :: 4.092 HB2 :: 4.001 HB3 :: 3.959 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 :: 116.909 Ave N Shift Values>> N :: 116.3(3.95) 1.A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.14 C 0.03 L 0.01 C Shift Assignments>> C :: 177.233 CA :: 51.814 CB :: 19.772 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.354 HA :: 4.345 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.474 Ave N Shift Values>> N :: 123.23(3.7) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 174.915 CA :: 46.177 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.775 HA2 :: 3.843 HA3 :: 3.747 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.813 Ave N Shift Values>> N :: 109.91(4.29) 1.M125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.33 A 0.23 HN Overlap>> 1.K135 1.K135 C Shift Assignments>> C :: 174.952 CA :: 54.859 CB :: 34.446 CG :: 32.411 CE :: 17.495 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 :: 7.928 HA :: 4.355 HB2 :: 1.932 HB3 :: 1.713 HG2 :: 2.378 HG3 :: 2.267 HE1 :: 1.958 HE2 :: 1.958 HE3 :: 1.958 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 :: 118.992 Ave N Shift Values>> N :: 120.1(3.88) 1.Q126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.23 M 0.1 E 0.09 R 0.04 C Shift Assignments>> C :: 175.643 CA :: 55.082 CB :: 29.527 CG :: 33.730 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 :: 8.406 HA :: 4.159 HB2 :: 2.047 HB3 :: 1.931 HG2 :: 2.406 HG3 :: 2.406 HE21 :: 7.664 HE22 :: 6.828 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 :: 121.227 NE2 :: 113.394 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.31 A 0.05 R 0.01 C Shift Assignments>> C :: 175.194 CA :: 53.544 CB :: 40.322 CG :: 27.736 CD1 :: 25.706 CD2 :: 23.294 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 :: 8.388 HA :: 4.212 HB2 :: 1.670 HB3 :: 1.575 HG :: 1.723 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.333 HD22 :: 0.333 HD23 :: 0.333 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 :: 122.681 Ave N Shift Values>> N :: 121.98(4.07) 1.P128 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 :: 175.631 CA :: 62.718 CB :: 32.025 CG :: 27.405 CD :: 50.382 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 :: 4.818 HB2 :: 2.580 HB3 :: 1.836 HG2 :: 2.378 HG3 :: 2.060 HD2 :: 4.196 HD3 :: 3.789 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.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 176.457 CA :: 59.626 CB :: 71.545 CG2 :: 22.090 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 :: 8.395 HA :: 4.913 HB :: 4.499 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 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 :: 110.758 Ave N Shift Values>> N :: 115.7(5.05) 1.L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.43 R 0.01 A 0.01 C Shift Assignments>> C :: 179.261 CA :: 57.655 CB :: 40.767 CG :: 27.133 CD1 :: 24.527 CD2 :: 22.333 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 :: 8.755 HA :: 3.980 HB2 :: 1.767 HB3 :: 1.571 HG :: 1.720 HD11 :: 0.914 HD12 :: 0.914 HD13 :: 0.914 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 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 :: 120.402 Ave N Shift Values>> N :: 121.98(4.07) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.18 Y 0.15 L 0.13 C 0.13 D 0.07 R 0.05 I 0.03 C Shift Assignments>> C :: 178.557 CA :: 57.571 CB :: 41.270 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 :: 8.327 HA :: 4.452 HB2 :: 2.618 HB3 :: 2.592 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 :: 118.275 Ave N Shift Values>> N :: 120.73(4.2) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 I 0.3 E 0.29 K 0.03 M 0.01 C Shift Assignments>> C :: 180.075 CA :: 59.456 CB :: 29.439 CG :: 37.296 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 :: 7.579 HA :: 3.984 HB2 :: 2.453 HB3 :: 2.108 HG2 :: 2.407 HG3 :: 2.351 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 :: 119.953 Ave N Shift Values>> N :: 120.68(3.68) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.428 CA :: 63.509 CB :: 36.622 CG1 :: 28.402 CG2 :: 17.436 CD1 :: 11.459 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 :: 8.243 HA :: 3.811 HB :: 2.166 HG12 :: 1.519 HG13 :: 1.367 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 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 :: 120.914 Ave N Shift Values>> N :: 121.6(4.72) 1.N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.23 F 0.17 N 0.09 E 0.08 D 0.07 I 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 178.411 CA :: 56.389 CB :: 38.277 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 :: 8.680 HA :: 4.437 HB2 :: 3.034 HB3 :: 2.851 HD21 :: 7.723 HD22 :: 6.830 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 :: 119.052 ND2 :: 111.226 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.21 M 0.01 G 0.01 HN Overlap>> 1.M125 1.M125 C Shift Assignments>> C :: 179.735 CA :: 59.843 CB :: 32.617 CG :: 25.654 CD :: 29.335 CE :: 42.103 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 :: 7.921 HA :: 4.040 HB2 :: 1.918 HB3 :: 1.918 HG2 :: 1.656 HG3 :: 1.459 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.967 HE3 :: 2.967 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 :: 119.087 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.33 K 0.25 G 0.03 M 0.01 C Shift Assignments>> C :: 178.873 CA :: 57.462 CB :: 31.073 CG :: 24.026 CD :: 27.917 CE :: 42.877 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 :: 8.084 HA :: 4.297 HB2 :: 2.114 HB3 :: 2.114 HG2 :: 1.714 HG3 :: 1.579 HD2 :: 1.899 HD3 :: 1.828 HE2 :: 3.070 HE3 :: 3.070 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 :: 121.145 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.28 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 178.873 CA :: 60.119 CB :: 29.624 CG :: 36.591 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 :: 9.018 HA :: 3.900 HB2 :: 2.267 HB3 :: 2.009 HG2 :: 2.439 HG3 :: 2.178 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 :: 121.918 Ave N Shift Values>> N :: 120.68(3.68) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.02 C Shift Assignments>> C :: 179.395 CA :: 58.323 CB :: 41.375 CG :: 26.775 CD1 :: 23.738 CD2 :: 24.783 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 :: 7.760 HA :: 4.106 HB2 :: 1.877 HB3 :: 1.694 HG :: 1.827 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.936 HD22 :: 0.936 HD23 :: 0.936 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 :: 118.947 Ave N Shift Values>> N :: 121.98(4.07) 1.S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.233 CA :: 61.766 CB :: 63.029 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.673 HA :: 4.293 HB2 :: 4.096 HB3 :: 4.064 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 :: 115.300 Ave N Shift Values>> N :: 116.3(3.95) 1.I140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 179.067 CA :: 65.205 CB :: 38.483 CG1 :: 28.566 CG2 :: 17.584 CD1 :: 14.365 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 :: 8.128 HA :: 3.768 HB :: 2.207 HG12 :: 1.916 HG13 :: 1.189 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 HD11 :: 1.080 HD12 :: 1.080 HD13 :: 1.080 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 :: 122.251 Ave N Shift Values>> N :: 121.6(4.72) 1.K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 M 0.01 G 0.01 C Shift Assignments>> C :: 179.662 CA :: 59.824 CB :: 32.494 CG :: 25.495 CD :: 29.503 CE :: 42.119 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 :: 8.292 HA :: 4.084 HB2 :: 1.997 HB3 :: 1.997 HG2 :: 1.663 HG3 :: 1.470 HD2 :: 1.692 HD3 :: 1.692 HE2 :: 2.967 HE3 :: 2.967 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 :: 122.866 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.15 K 0.07 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.096 CA :: 58.571 CB :: 29.596 CG :: 36.499 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 :: 8.259 HA :: 4.048 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 2.382 HG3 :: 2.194 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 :: 119.480 Ave N Shift Values>> N :: 120.68(3.68) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.28 C 0.02 C Shift Assignments>> C :: 178.144 CA :: 53.323 CB :: 18.946 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.504 HA :: 3.888 HB1 :: 0.829 HB2 :: 0.829 HB3 :: 0.829 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.751 Ave N Shift Values>> N :: 123.23(3.7) 1.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.526 CA :: 59.651 CB :: 64.036 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.780 HA :: 4.615 HB2 :: 4.101 HB3 :: 4.000 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 :: 112.512 Ave N Shift Values>> N :: 116.3(3.95) 1.G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 171.867 CA :: 44.978 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.798 HA2 :: 4.158 HA3 :: 4.158 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.526 Ave N Shift Values>> N :: 109.91(4.29) 1.P146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> CA :: 63.440 CB :: 32.237 CG :: 27.271 CD :: 49.935 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 :: 4.497 HB2 :: 2.031 HB3 :: 2.325 HG2 :: 2.039 HD2 :: 3.649 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.S147 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.G149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 135 #Clerical: 0 #Suspicious: 12 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 139 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 147 #Suspicious: 2 C Shift Results: #Consistent: 630 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 981 #Duplicate: 0 #Unknown: 0 #Suspicious: 24 #Anomalous: 1 N Shift Results: #Consistent: 145 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L20 HD11 = -0.237(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.9176e-04 1.L20 HD12 = -0.237(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.9176e-04 1.L20 HD13 = -0.237(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.9176e-04 1.L20 HD21 = -0.439(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.8510e-05 1.L20 HD22 = -0.439(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.8510e-05 1.L20 HD23 = -0.439(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.8510e-05 1.R24 HD3 = 1.653(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.8983e-11 1.R24 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.K29 HB3 = 0.801(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.6629e-04 1.C34 HA = 2.369(S), Expected = 4.73, Std = 0.5700, ChiSquare = 3.4413e-05 1.R49 HD3 = 2.350(S), Expected = 3.13, Std = 0.2200, ChiSquare = 3.9194e-04 1.R49 HE = 9.673(S), Expected = 7.32, Std = 0.5200, ChiSquare = 6.0396e-06 1.I50 HG13 = -0.313(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.0339e-04 1.R62 HD2 = 2.186(S), Expected = 3.13, Std = 0.2300, ChiSquare = 4.0546e-05 1.R62 HD3 = 2.012(S), Expected = 3.13, Std = 0.2200, ChiSquare = 3.7384e-07 1.V63 HG11 = -0.573(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.6648e-07 1.V63 HG12 = -0.573(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.6648e-07 1.V63 HG13 = -0.573(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.6648e-07 1.E65 HG2 = 1.592(S), Expected = 2.31, Std = 0.2100, ChiSquare = 6.2841e-04 1.E65 HG3 = 1.287(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.1079e-06 1.T83 CA = 69.270(A), Expected = 62.15, Std = 2.7200, ChiSquare = 8.8538e-03 1.R99 HD3 = 2.177(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.4788e-05 1.E101 HG2 = 1.238(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.3121e-07 1.E101 HG3 = 0.843(A), Expected = 2.31, Std = 0.2100, ChiSquare = 2.8341e-12 1.K117 HA = 2.696(S), Expected = 4.28, Std = 0.4500, ChiSquare = 4.3155e-04 1.K117 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K117 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.M120 HG2 = 1.119(S), Expected = 2.44, Std = 0.3600, ChiSquare = 2.4308e-04 1.M120 HG3 = 0.454(S), Expected = 2.41, Std = 0.4000, ChiSquare = 1.0084e-06