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.N8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HD21 :: 6.849 HD22 :: 7.514 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 :: 112.338 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.7 A 0.15 R 0.05 K 0.04 L 0.02 M 0.02 C Shift Assignments>> C :: 174.415 CA :: 54.385 CB :: 30.486 CG :: 22.484 CD :: 26.769 CE :: 39.871 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>> HA :: 4.205 HB2 :: 1.771 HB3 :: 1.693 HG2 :: 1.387 HG3 :: 1.358 HD2 :: 1.623 HD3 :: 1.623 HE2 :: 2.945 HE3 :: 2.945 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) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 C 0.34 L 0.07 C Shift Assignments>> C :: 174.850 CA :: 52.883 CB :: 39.889 CG :: 24.736 CD1 :: 22.606 CD2 :: 21.129 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 :: 8.131 HA :: 4.244 HB2 :: 1.587 HB3 :: 1.507 HG :: 1.555 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.799 HD22 :: 0.799 HD23 :: 0.799 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 :: 122.285 Ave N Shift Values>> N :: 121.98(4.07) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C 0.01 C Shift Assignments>> C :: 175.231 CA :: 50.114 CB :: 16.776 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.100 HA :: 4.237 HB1 :: 1.313 HB2 :: 1.313 HB3 :: 1.313 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.286 Ave N Shift Values>> N :: 123.23(3.7) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.33 K 0.2 Q 0.05 M 0.03 P 0.02 C Shift Assignments>> C :: 173.153 CA :: 53.342 CB :: 27.405 CG :: 31.520 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 :: 8.137 HA :: 4.248 HB2 :: 1.888 HB3 :: 1.968 HG2 :: 2.291 HG3 :: 2.291 HE21 :: 7.483 HE22 :: 6.819 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 :: 119.476 NE2 :: 111.993 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 A 0.27 K 0.03 M 0.03 R 0.03 C Shift Assignments>> C :: 173.231 CA :: 53.086 CB :: 31.809 CG :: 22.280 CD :: 26.844 CE :: 39.921 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 :: 8.245 HA :: 4.380 HB2 :: 1.753 HB3 :: 1.654 HG2 :: 1.353 HG3 :: 1.353 HD2 :: 1.623 HD3 :: 1.623 HE2 :: 2.946 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 :: 121.751 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 Y 0.25 H 0.01 C Shift Assignments>> C :: 172.159 CA :: 57.711 CB :: 36.202 CD1 :: 130.589 CD2 :: 130.589 CE1 :: 115.655 CE2 :: 115.655 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 :: 8.471 HA :: 3.732 HB2 :: 2.794 HB3 :: 2.649 HD1 :: 6.318 HD2 :: 6.318 HE1 :: 6.360 HE2 :: 6.360 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 :: 124.977 Ave N Shift Values>> N :: 120.79(4.69) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.19 C 0.15 L 0.15 K 0.04 F 0.03 R 0.02 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.864 CA :: 50.713 CB :: 41.601 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 :: 8.085 HA :: 4.781 HB2 :: 2.236 HB3 :: 2.467 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 :: 128.022 Ave N Shift Values>> N :: 120.73(4.2) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.42 C 0.35 W 0.22 C Shift Assignments>> C :: 175.037 CA :: 58.252 CB :: 27.737 CD2 :: 117.895 CE1 :: 136.238 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 :: 4.006 HB2 :: 3.175 HB3 :: 3.055 HD2 :: 7.131 HE1 :: 7.822 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.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.34 R 0.22 M 0.05 Q 0.01 V 0.01 C Shift Assignments>> C :: 176.809 CA :: 56.755 CB :: 25.117 CG :: 31.482 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 :: 8.343 HA :: 4.088 HB2 :: 2.057 HB3 :: 2.120 HG2 :: 2.248 HG3 :: 2.248 HE21 :: 6.778 HE22 :: 7.636 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 :: 123.119 NE2 :: 112.194 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.34 L 0.25 R 0.01 C Shift Assignments>> C :: 176.448 CA :: 55.380 CB :: 28.822 CG :: 24.164 CD :: 40.540 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 :: 8.244 HA :: 3.942 HB2 :: 1.723 HB3 :: 1.412 HG2 :: 1.512 HG3 :: 1.579 HD2 :: 2.802 HD3 :: 3.103 HE :: 8.068 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.443 NE :: 84.417 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.E19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.35 Q 0.23 K 0.18 E 0.1 R 0.07 I 0.03 C Shift Assignments>> C :: 174.228 CA :: 57.826 CB :: 27.158 CG :: 34.337 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 :: 7.296 HA :: 3.259 HB2 :: 2.054 HB3 :: 1.501 HG2 :: 0.840(A) HG3 :: 1.491(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 :: 116.878 Ave N Shift Values>> N :: 120.68(3.68) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.29 R 0.26 M 0.03 L 0.01 C Shift Assignments>> C :: 176.115 CA :: 56.505 CB :: 25.099 CG :: 30.477 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 :: 7.330 HA :: 3.970 HB2 :: 2.202 HB3 :: 2.110 HG2 :: 2.426 HG3 :: 2.362 HE21 :: 7.866 HE22 :: 6.855 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 :: 118.212 NE2 :: 112.903 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.25 Q 0.25 R 0.14 E 0.04 M 0.03 HN Overlap>> 1.N75 1.N75 C Shift Assignments>> C :: 178.379 CA :: 56.408 CB :: 27.774 CG :: 33.281 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 :: 7.653 HA :: 4.038 HB2 :: 2.089 HB3 :: 2.278 HG2 :: 2.459 HG3 :: 2.284 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 :: 117.959 Ave N Shift Values>> N :: 120.68(3.68) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.37 A 0.11 C Shift Assignments>> C :: 176.045 CA :: 55.719 CB :: 40.975 CG :: 24.556 CD1 :: 24.172 CD2 :: 21.962 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 :: 8.593 HA :: 4.182 HB2 :: 2.121 HB3 :: 1.239 HG :: 1.849 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 1.089 HD22 :: 1.089 HD23 :: 1.089 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 :: 120.520 Ave N Shift Values>> N :: 121.98(4.07) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.26 L 0.2 R 0.14 C Shift Assignments>> C :: 174.942 CA :: 58.193 CB :: 28.329 CG :: 25.644 CD :: 41.837 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 :: 8.981 HA :: 3.769 HB2 :: 2.069 HB3 :: 2.069 HG2 :: 1.347 HG3 :: 1.519 HD2 :: 3.471 HD3 :: 3.103 HE :: 8.413 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 :: 119.564 NE :: 83.785 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.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.18 E 0.09 R 0.07 I 0.03 M 0.01 C Shift Assignments>> C :: 178.019 CA :: 57.245 CB :: 27.035 CG :: 34.350 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 :: 8.091 HA :: 4.089 HB2 :: 2.087 HB3 :: 2.087 HG2 :: 2.540 HG3 :: 2.273 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 :: 117.275 Ave N Shift Values>> N :: 120.68(3.68) 1.W25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 W 0.09 C Shift Assignments>> C :: 174.980 CA :: 56.343 CB :: 26.811 CD1 :: 125.159 CE3 :: 118.292 CZ2 :: 112.889 CZ3 :: 118.253 CH2 :: 120.980 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 :: 8.102 HA :: 4.831 HB2 :: 3.540 HB3 :: 3.185 HD1 :: 7.523 HE1 :: 10.978 HE3 :: 7.432 HZ2 :: 7.076 HZ3 :: 7.011 HH2 :: 6.857 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 :: 120.921 NE1 :: 131.198 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 I 0.49 HN Overlap>> 1.L48 1.L48 C Shift Assignments>> C :: 178.437 CA :: 62.701 CB :: 36.301 CG1 :: 25.625 CG2 :: 14.904 CD1 :: 10.882 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 :: 8.582 HA :: 2.825 HB :: 1.299 HG12 :: -1.278(S) HG13 :: 1.123 HG21 :: 0.047 HG22 :: 0.047 HG23 :: 0.047 HD11 :: 0.331 HD12 :: 0.331 HD13 :: 0.331 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 :: 117.533 Ave N Shift Values>> N :: 121.6(4.72) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.16 I 0.11 K 0.11 Q 0.1 R 0.02 M 0.01 C Shift Assignments>> C :: 177.755 CA :: 57.763 CB :: 26.747 CG :: 35.551 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 :: 9.239 HA :: 3.971 HB2 :: 1.982 HB3 :: 1.859 HG2 :: 2.679 HG3 :: 2.514 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.882 Ave N Shift Values>> N :: 120.68(3.68) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.179 CA :: 44.701 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.882 HA2 :: 4.056 HA3 :: 3.847 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.312 Ave N Shift Values>> N :: 109.91(4.29) 1.V29 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 :: 175.916 CA :: 63.333 CB :: 30.520 CG1 :: 20.174 CG2 :: 21.507 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 :: 8.091 HA :: 3.847 HB :: 1.965 HG11 :: 0.784 HG12 :: 0.784 HG13 :: 0.784 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 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 :: 119.745 Ave N Shift Values>> N :: 121.02(4.96) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.490 CA :: 61.437 CB :: 69.217 CG2 :: 19.872 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 :: 7.867 HA :: 4.043 HB :: 4.062 HG21 :: 1.279 HG22 :: 1.279 HG23 :: 1.279 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 :: 104.305 Ave N Shift Values>> N :: 115.7(5.05) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.2 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.428 CA :: 43.890 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.182 HA2 :: 4.026 HA3 :: 3.810 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.298 Ave N Shift Values>> N :: 109.91(4.29) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.28 L 0.05 R 0.04 A 0.02 HN Overlap>> 1.K61 1.K62 1.K61 1.K62 C Shift Assignments>> C :: 172.171 CA :: 51.211 CB :: 30.214 CG :: 24.470 CD :: 40.846 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 :: 7.678 HA :: 4.368 HB2 :: 1.557 HB3 :: 1.465 HG2 :: 1.395 HG3 :: 1.395 HD2 :: 2.830 HD3 :: 3.047 HE :: 6.738 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 :: 118.359 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.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.26 K 0.25 A 0.02 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 174.385 CA :: 51.678 CB :: 28.147 CG :: 24.183 CD :: 40.860 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 :: 8.020 HA :: 4.214 HB2 :: 1.664 HB3 :: 1.534 HG2 :: 1.404 HG3 :: 1.551 HD2 :: 2.989 HD3 :: 2.989 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 :: 116.790 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.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 173.860 CA :: 61.680 CB :: 36.816 CG1 :: 27.500 CG2 :: 16.997 CD1 :: 12.641 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 :: 9.537 HA :: 3.305 HB :: 1.573 HG12 :: 1.613 HG13 :: 0.510 HG21 :: 0.569 HG22 :: 0.569 HG23 :: 0.569 HD11 :: 0.571 HD12 :: 0.571 HD13 :: 0.571 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 :: 125.918 Ave N Shift Values>> N :: 121.6(4.72) 1.G35 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.17 L 0.11 Y 0.11 K 0.1 C 0.08 I 0.07 N 0.05 R 0.01 C Shift Assignments>> C :: 172.606 CA :: 40.913 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.272 HA2 :: 4.362 HA3 :: 3.550 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.667 Ave N Shift Values>> N :: 109.91(4.29) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 N 0.17 E 0.16 M 0.12 Y 0.06 K 0.05 F 0.02 Q 0.02 D 0.01 C Shift Assignments>> CA :: 54.052 CB :: 36.081 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 :: 6.415 HA :: 4.213 HB2 :: 2.699 HB3 :: 2.699 HD21 :: 7.567 HD22 :: 6.888 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 :: 112.517 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.34 D 0.02 M 0.02 Y 0.02 P 0.01 F 0.01 E 0.01 HN Overlap>> 1.R33 1.R33 C Shift Assignments>> C :: 172.292 CA :: 50.014 CB :: 36.893 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 :: 8.012 HA :: 4.709 HB2 :: 2.811 HB3 :: 2.518 HD21 :: 7.590 HD22 :: 6.812 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.857 ND2 :: 113.640 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 F 0.14 Y 0.02 C Shift Assignments>> C :: 172.264 CA :: 59.462 CB :: 37.747 CD1 :: 130.148 CD2 :: 130.148 CE1 :: 128.220 CE2 :: 128.220 CZ :: 125.681 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 :: 8.800 HA :: 3.690 HB2 :: 2.910 HB3 :: 2.910 HD1 :: 6.916 HD2 :: 6.916 HE1 :: 6.784 HE2 :: 6.784 HZ :: 6.699 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 :: 128.088 Ave N Shift Values>> N :: 120.69(4.18) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 A 0.22 M 0.19 C Shift Assignments>> C :: 178.030 CA :: 54.502 CB :: 28.059 CG :: 30.969 CE :: 16.011 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 :: 8.287 HA :: 3.902 HB2 :: 1.832 HB3 :: 1.337 HG2 :: 1.876 HG3 :: 2.340 HE1 :: 2.097 HE2 :: 2.097 HE3 :: 2.097 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 :: 113.527 Ave N Shift Values>> N :: 120.1(3.88) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.22 Y 0.16 F 0.1 E 0.09 D 0.07 M 0.02 I 0.02 L 0.01 C Shift Assignments>> C :: 177.180 CA :: 55.093 CB :: 37.832 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 :: 7.975 HA :: 4.120 HB2 :: 2.441 HB3 :: 2.365 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 :: 118.805 Ave N Shift Values>> N :: 120.73(4.2) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.11 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.305 CA :: 43.591 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.829 HA2 :: 3.914 HA3 :: 3.914 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.737 Ave N Shift Values>> N :: 109.91(4.29) 1.L42 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 C 0.16 C Shift Assignments>> C :: 176.581 CA :: 51.246 CB :: 40.505 CG :: 22.499(S) CD1 :: 23.555 CD2 :: 19.219 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 :: 7.008 HA :: 4.449 HB2 :: 1.453 HB3 :: 1.118 HG :: 1.403 HD11 :: -0.030 HD12 :: -0.030 HD13 :: -0.030 HD21 :: 0.226 HD22 :: 0.226 HD23 :: 0.226 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 :: 116.545 Ave N Shift Values>> N :: 121.98(4.07) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 K 0.07 R 0.03 M 0.03 C Shift Assignments>> C :: 170.944 CA :: 58.459 CB :: 30.998 CG :: 22.814 CD :: 27.329 CE :: 39.657 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 :: 7.005 HA :: 3.564 HB2 :: 1.871 HB3 :: 1.705 HG2 :: 1.444 HG3 :: 1.286 HD2 :: 1.497 HD3 :: 1.497 HE2 :: 2.615 HE3 :: 2.771 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 :: 121.816 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.16 D 0.15 Y 0.04 F 0.03 L 0.02 HN Overlap>> 1.T103 1.T103 C Shift Assignments>> C :: 175.427 CA :: 51.752 CB :: 38.575 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 :: 7.629 HA :: 4.530 HB2 :: 3.052 HB3 :: 2.416 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 :: 109.250 Ave N Shift Values>> N :: 120.73(4.2) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 171.938 CA :: 44.866 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.759 HA2 :: 3.975 HA3 :: 3.368 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.409 Ave N Shift Values>> N :: 109.91(4.29) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 175.116 CA :: 64.719 CB :: 35.175 CG1 :: 27.274 CG2 :: 13.996 CD1 :: 11.744 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 :: 8.521 HA :: 3.238 HB :: 1.655 HG12 :: 0.677 HG13 :: 1.337 HG21 :: 0.635 HG22 :: 0.635 HG23 :: 0.635 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 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 :: 122.152 Ave N Shift Values>> N :: 121.6(4.72) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 175.722 CA :: 64.104 CB :: 34.572 CG1 :: 28.175 CG2 :: 14.913 CD1 :: 11.628 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 :: 7.945 HA :: 3.249 HB :: 1.403 HG12 :: 0.492 HG13 :: 1.707 HG21 :: 0.323 HG22 :: 0.323 HG23 :: 0.323 HD11 :: 0.557 HD12 :: 0.557 HD13 :: 0.557 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 :: 117.184 Ave N Shift Values>> N :: 121.6(4.72) 1.L48 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 A 0.35 V 0.01 HN Overlap>> 1.I26 1.I26 C Shift Assignments>> C :: 176.506 CA :: 55.712 CB :: 36.747 CG :: 23.291 CD1 :: 18.619(S) CD2 :: 22.666 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 :: 8.689 HA :: 3.618 HB2 :: 0.989 HB3 :: 0.056(S) HG :: 1.540 HD11 :: 0.222 HD12 :: 0.222 HD13 :: 0.222 HD21 :: 0.279 HD22 :: 0.279 HD23 :: 0.279 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 :: 117.561 Ave N Shift Values>> N :: 121.98(4.07) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 I 0.42 C 0.06 V 0.01 R 0.01 W 0.01 C Shift Assignments>> C :: 174.252 CA :: 63.495 CB :: 26.087 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.678 HA :: 4.188 HB2 :: 3.036 HB3 :: 2.105 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 :: 116.405 Ave N Shift Values>> N :: 119.95(4.79) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.22 K 0.16 E 0.09 R 0.07 I 0.04 M 0.01 C Shift Assignments>> C :: 177.380 CA :: 57.571 CB :: 26.829 CG :: 34.434 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 :: 8.484 HA :: 3.825 HB2 :: 2.010 HB3 :: 1.847 HG2 :: 2.361 HG3 :: 1.993 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 :: 119.430 Ave N Shift Values>> N :: 120.68(3.68) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.746 CA :: 58.034 CB :: 37.053 CD1 :: 127.579 CD2 :: 127.579 CE1 :: 127.820 CE2 :: 127.820 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 :: 8.782 HA :: 3.841 HB2 :: 3.234 HB3 :: 2.868 HD1 :: 6.667 HD2 :: 6.667 HE1 :: 6.095 HE2 :: 6.095 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 :: 119.229 Ave N Shift Values>> N :: 120.69(4.18) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.33 A 0.06 C Shift Assignments>> C :: 173.520 CA :: 57.474 CB :: 36.470 CG1 :: 27.374 CG2 :: 18.556 CD1 :: 12.335 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 :: 8.373 HA :: 3.791 HB :: 1.675 HG12 :: 1.241 HG13 :: 0.964 HG21 :: 1.184 HG22 :: 1.184 HG23 :: 1.184 HD11 :: 0.259 HD12 :: 0.259 HD13 :: 0.259 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 :: 117.772 Ave N Shift Values>> N :: 121.6(4.72) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 N 0.2 M 0.14 P 0.05 K 0.04 E 0.04 Q 0.04 Y 0.02 H 0.01 HN Overlap>> 1.Q72 1.Q72 C Shift Assignments>> C :: 175.983 CA :: 51.584 CB :: 35.357 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 :: 7.441 HA :: 4.801 HB2 :: 2.800 HB3 :: 2.676 HD21 :: 7.393 HD22 :: 7.322 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 :: 120.978 ND2 :: 106.924 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 A 0.18 L 0.12 R 0.03 C Shift Assignments>> C :: 176.592 CA :: 54.557 CB :: 29.666 CG :: 22.182 CD :: 25.923 CE :: 39.882 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 :: 7.349 HA :: 4.048 HB2 :: 1.891 HB3 :: 1.451 HG2 :: 1.254 HG3 :: 1.535 HD2 :: 1.508 HD3 :: 1.638 HE2 :: 2.956 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 :: 118.599 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 C 0.37 C Shift Assignments>> C :: 175.533 CA :: 54.410 CB :: 39.593 CG :: 24.297 CD1 :: 22.170 CD2 :: 19.377 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 :: 7.004 HA :: 3.975 HB2 :: 1.167 HB3 :: 1.018 HG :: 0.960 HD11 :: 0.015 HD12 :: 0.015 HD13 :: 0.015 HD21 :: 0.533 HD22 :: 0.533 HD23 :: 0.533 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 :: 117.549 Ave N Shift Values>> N :: 121.98(4.07) 1.Q56 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 C 0.12 K 0.04 R 0.04 Q 0.02 M 0.01 C Shift Assignments>> C :: 168.090(A) CA :: 50.717 CB :: 27.789 CG :: 32.589 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 :: 8.497 HA :: 4.534 HB2 :: 1.695 HB3 :: 1.824 HG2 :: 1.978 HG3 :: 2.251 HE21 :: 7.473 HE22 :: 6.697 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 :: 119.113 NE2 :: 109.177 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.76 G 0.17 P 0.06 C Shift Assignments>> C :: 175.578 CA :: 62.137 CB :: 29.514 CG :: 25.036 CD :: 47.901 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 :: 4.718 HB2 :: 2.232 HB3 :: 1.738 HG2 :: 1.930 HG3 :: 2.036 HD2 :: 3.315 HD3 :: 3.533 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.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.26 K 0.12 D 0.08 C 0.07 F 0.06 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 172.056 CA :: 42.723 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.734 HA2 :: 3.991 HA3 :: 3.566 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.298 Ave N Shift Values>> N :: 109.91(4.29) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.132 CA :: 60.941 CB :: 61.593 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.789 HA :: 4.050 HB2 :: 3.593 HB3 :: 4.068 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 :: 116.967 Ave N Shift Values>> N :: 116.3(3.95) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.29 I 0.01 C Shift Assignments>> C :: 174.063 CA :: 59.816 CB :: 30.630 CG1 :: 20.137 CG2 :: 18.594 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 :: 9.498 HA :: 4.088 HB :: 1.751 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 0.637 HG22 :: 0.637 HG23 :: 0.637 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 :: 122.962 Ave N Shift Values>> N :: 121.02(4.96) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 L 0.07 R 0.05 K 0.03 A 0.02 HN Overlap>> 1.R32 1.R32 1.K62 1.K62 C Shift Assignments>> C :: 173.513 CA :: 56.531 CB :: 29.983 CG :: 22.766 CD :: 26.357 CE :: 39.842 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 :: 7.675 HA :: 3.852 HB2 :: 1.724 HB3 :: 1.682 HG2 :: 1.376 HG3 :: 1.297 HD2 :: 1.570 HD3 :: 1.570 HE2 :: 2.932 HE3 :: 2.932 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 :: 118.289 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 A 0.3 M 0.02 K 0.02 R 0.01 HN Overlap>> 1.R32 1.K61 1.R32 1.K61 C Shift Assignments>> C :: 171.380 CA :: 52.988 CB :: 32.224 CG :: 22.193 CD :: 26.669 CE :: 39.762 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 :: 7.668 HA :: 4.351 HB2 :: 1.607 HB3 :: 1.480 HG2 :: 1.168 HG3 :: 1.004 HD2 :: 1.527 HD3 :: 1.527 HE2 :: 2.863 HE3 :: 2.863 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 :: 118.268 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.43 C Shift Assignments>> C :: 173.240 CA :: 59.038 CB :: 36.829 CG1 :: 25.887 CG2 :: 16.056 CD1 :: 11.917 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 :: 8.727 HA :: 3.642 HB :: 1.573 HG12 :: 0.470 HG13 :: 1.368 HG21 :: 0.698 HG22 :: 0.698 HG23 :: 0.698 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 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 :: 127.319 Ave N Shift Values>> N :: 121.6(4.72) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.22 D 0.07 Y 0.03 F 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 173.043 CA :: 51.277 CB :: 37.681 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.261 HA :: 4.422 HB2 :: 2.481 HB3 :: 2.173 HD21 :: 7.144 HD22 :: 8.061 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.618 ND2 :: 117.348 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.26 K 0.17 R 0.09 E 0.03 M 0.01 C Shift Assignments>> C :: 173.064 CA :: 53.437 CB :: 26.946 CG :: 34.021 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 :: 8.784 HA :: 4.296 HB2 :: 1.982 HB3 :: 1.786 HG2 :: 2.083 HG3 :: 1.966 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.377 Ave N Shift Values>> N :: 120.68(3.68) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 C 0.05 C Shift Assignments>> C :: 172.307 CA :: 54.574 CB :: 61.809 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.478 HA :: 4.575 HB2 :: 3.713 HB3 :: 3.415 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.704 Ave N Shift Values>> N :: 116.3(3.95) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.43 T 0.33 C 0.21 A 0.01 C Shift Assignments>> C :: 172.218 CA :: 59.743 CB :: 66.715 CG2 :: 19.396 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 :: 8.162 HA :: 4.210 HB :: 4.410 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 112.375 Ave N Shift Values>> N :: 115.7(5.05) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.34 K 0.22 M 0.02 Q 0.02 P 0.01 C Shift Assignments>> CA :: 53.437 CB :: 26.147 CG :: 31.320 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 :: 8.482 HA :: 4.216 HB2 :: 1.371 HB3 :: 2.105 HG2 :: 2.215 HG3 :: 2.215 HE21 :: 7.390 HE22 :: 6.833 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 :: 121.215 NE2 :: 112.023 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.19 E 0.14 Q 0.11 K 0.11 N 0.04 Y 0.03 H 0.01 W 0.01 R 0.01 C Shift Assignments>> C :: 175.251 CA :: 54.662 CB :: 35.112 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.236 HB2 :: 2.769 HB3 :: 2.853 HD21 :: 7.609 HD22 :: 6.897 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 :: 111.136 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 W 0.24 C Shift Assignments>> C :: 176.267 CA :: 57.622 CB :: 24.892 CD1 :: 125.134 CE3 :: 117.880 CZ2 :: 112.526 CZ3 :: 120.203 CH2 :: 122.555 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 :: 8.160 HA :: 4.224 HB2 :: 3.236 HB3 :: 3.102 HD1 :: 6.941 HE1 :: 9.727 HE3 :: 7.315 HZ2 :: 7.332 HZ3 :: 7.072 HH2 :: 7.150 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 :: 116.393 NE1 :: 129.395 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.42 C 0.32 H 0.24 C Shift Assignments>> C :: 176.076 CA :: 56.037 CB :: 29.550 CD2 :: 114.057 CE1 :: 136.017 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 :: 6.425 HA :: 4.040 HB2 :: 3.037 HB3 :: 2.735 HD2 :: 6.203 HE1 :: 7.591 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.931 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.29 K 0.25 Q 0.07 M 0.02 HN Overlap>> 1.N53 1.N53 C Shift Assignments>> C :: 176.065 CA :: 56.968 CB :: 26.310 CG :: 31.938 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 :: 7.433 HA :: 4.149 HB2 :: 2.373 HB3 :: 2.175 HG2 :: 2.536 HG3 :: 2.417 HE21 :: 7.059 HE22 :: 6.660 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 :: 121.030 NE2 :: 108.312 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 A 0.23 L 0.09 C Shift Assignments>> C :: 178.200 CA :: 55.700 CB :: 39.333 CG :: 24.995 CD1 :: 22.483 CD2 :: 21.055 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 :: 8.027 HA :: 3.718 HB2 :: 1.482 HB3 :: 1.197 HG :: 0.687 HD11 :: 0.520 HD12 :: 0.520 HD13 :: 0.520 HD21 :: 0.438 HD22 :: 0.438 HD23 :: 0.438 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 :: 118.618 Ave N Shift Values>> N :: 121.98(4.07) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.24 K 0.2 E 0.12 R 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 176.103 CA :: 57.173 CB :: 27.465 CG :: 34.463 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 :: 7.884 HA :: 4.017 HB2 :: 1.914 HB3 :: 1.958 HG2 :: 2.205 HG3 :: 2.123 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 :: 121.584 Ave N Shift Values>> N :: 120.68(3.68) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 N 0.17 M 0.15 E 0.12 K 0.06 Y 0.04 Q 0.04 F 0.01 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 175.349 CA :: 53.373 CB :: 35.715 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 :: 7.661 HA :: 4.547 HB2 :: 3.767 HB3 :: 2.846 HD21 :: 8.042 HD22 :: 8.042 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 :: 117.910 ND2 :: 110.983 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 175.939 CA :: 63.765 CB :: 36.033 CG1 :: 27.137 CG2 :: 16.480 CD1 :: 11.249 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 :: 8.288 HA :: 3.561 HB :: 1.937 HG12 :: 0.916 HG13 :: 1.950 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 HD11 :: 1.145 HD12 :: 1.145 HD13 :: 1.145 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.487 Ave N Shift Values>> N :: 121.6(4.72) 1.G77 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 :: 174.687 CA :: 44.983 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.749 HA2 :: 3.971 HA3 :: 3.807 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.809 Ave N Shift Values>> N :: 109.91(4.29) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.18 N 0.11 E 0.1 K 0.08 Q 0.08 Y 0.03 H 0.01 W 0.01 F 0.01 C Shift Assignments>> C :: 176.427 CA :: 53.361 CB :: 35.287 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 :: 8.617 HA :: 4.733 HB2 :: 3.059 HB3 :: 2.711 HD21 :: 7.136 HD22 :: 8.431 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 :: 121.569 ND2 :: 115.007 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 F 0.2 C Shift Assignments>> C :: 173.917 CA :: 59.933 CB :: 35.910 CD1 :: 129.757 CD2 :: 129.757 CE1 :: 131.403 CE2 :: 131.403 CZ :: 127.142 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 :: 8.570 HA :: 4.028 HB2 :: 3.507 HB3 :: 3.404 HD1 :: 7.086 HD2 :: 7.086 HE1 :: 7.069 HE2 :: 7.069 HZ :: 6.973 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 :: 125.357 Ave N Shift Values>> N :: 120.69(4.18) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 176.975 CA :: 63.785 CB :: 35.653 CG1 :: 27.404 CG2 :: 13.969 CD1 :: 11.437 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 :: 8.493 HA :: 3.112 HB :: 1.927 HG12 :: 0.433 HG13 :: 1.662 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 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 :: 120.933 Ave N Shift Values>> N :: 121.6(4.72) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 K 0.11 R 0.05 M 0.01 L 0.01 C Shift Assignments>> C :: 177.030 CA :: 57.795 CB :: 30.413 CG :: 23.436 CD :: 27.181 CE :: 39.789 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 :: 8.136 HA :: 3.885 HB2 :: 1.865 HB3 :: 1.865 HG2 :: 1.434 HG3 :: 1.609 HD2 :: 1.721 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 :: 121.107 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.01 C Shift Assignments>> C :: 179.311 CA :: 52.675 CB :: 18.108 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.027 HA :: 4.148 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.846 Ave N Shift Values>> N :: 123.23(3.7) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.35 V 0.08 C Shift Assignments>> C :: 174.992 CA :: 62.692 CB :: 34.789 CG1 :: 23.182 CG2 :: 16.645 CD1 :: 13.216 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 :: 8.552 HA :: 3.985 HB :: 1.622 HG12 :: 1.143 HG13 :: 1.143 HG21 :: 0.162 HG22 :: 0.162 HG23 :: 0.162 HD11 :: 0.453 HD12 :: 0.453 HD13 :: 0.453 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 :: 113.351 Ave N Shift Values>> N :: 121.6(4.72) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.43 T 0.32 C 0.23 C Shift Assignments>> C :: 176.138 CA :: 63.879 CB :: 65.743 CG2 :: 18.406 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 :: 7.525 HA :: 4.303 HB :: 4.299 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 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 :: 121.308 Ave N Shift Values>> N :: 115.7(5.05) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 L 0.08 R 0.05 K 0.03 A 0.03 M 0.01 C Shift Assignments>> C :: 175.606 CA :: 56.821 CB :: 29.631 CG :: 22.484 CD :: 26.851 CE :: 39.871 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 :: 7.468 HA :: 3.946 HB2 :: 1.909 HB3 :: 1.843 HG2 :: 1.459 HG3 :: 1.391 HD2 :: 1.596 HE2 :: 2.889 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.914 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y86 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.33 C Shift Assignments>> C :: 172.742 CA :: 57.817 CB :: 37.756 CD1 :: 130.758 CD2 :: 130.758 CE1 :: 114.764 CE2 :: 114.764(A) 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 :: 7.750 HA :: 4.062 HB2 :: 3.001 HB3 :: 2.852 HD1 :: 6.732 HD2 :: 6.732 HE1 :: 6.483 HE2 :: 6.483 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 :: 118.657 Ave N Shift Values>> N :: 120.79(4.69) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.21 R 0.12 D 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 172.425 CA :: 42.181 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.049 HA2 :: 4.477 HA3 :: 3.450 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 99.524 Ave N Shift Values>> N :: 109.91(4.29) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 173.368 CA :: 61.573 CB :: 28.977 CG1 :: 20.047 CG2 :: 21.087 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 :: 7.904 HA :: 3.704 HB :: 1.553 HG11 :: 0.909 HG12 :: 0.909 HG13 :: 0.909 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 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 :: 122.156 Ave N Shift Values>> N :: 121.02(4.96) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.33 A 0.2 R 0.01 C Shift Assignments>> C :: 174.257 CA :: 52.264 CB :: 28.651 CG :: 22.743 CD :: 26.364 CE :: 40.009 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 :: 9.084 HA :: 4.190 HB2 :: 1.458 HB3 :: 1.458 HG2 :: 1.580 HG3 :: 1.513 HD2 :: 1.613 HD3 :: 1.684 HE2 :: 2.982 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 :: 129.304 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 P 0.24 G 0.19 C Shift Assignments>> C :: 176.539 CA :: 63.482 CB :: 29.527 CG :: 25.601 CD :: 48.016 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 :: 3.951 HB2 :: 2.258 HB3 :: 1.888 HG2 :: 2.100 HG3 :: 1.911 HD2 :: 3.669 HD3 :: 3.818 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.H91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 C 0.37 W 0.12 C Shift Assignments>> C :: 173.373 CA :: 55.430 CB :: 27.116 CD2 :: 117.542 CE1 :: 136.018 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 :: 7.661 HA :: 4.384 HB2 :: 3.183 HB3 :: 2.915 HD2 :: 6.913 HE1 :: 7.759 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 :: 112.106 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.26 C 0.13 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 173.948 CA :: 51.838 CB :: 39.692 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 :: 7.872 HA :: 4.839 HB2 :: 2.491 HB3 :: 2.658 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 :: 118.090 Ave N Shift Values>> N :: 120.73(4.2) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 172.013 CA :: 60.467 CB :: 36.498 CG1 :: 25.985 CG2 :: 16.182 CD1 :: 12.293 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 :: 7.325 HA :: 3.917 HB :: 1.646 HG12 :: 0.387 HG13 :: 1.712 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 HD11 :: 0.519 HD12 :: 0.519 HD13 :: 0.519 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.198 Ave N Shift Values>> N :: 121.6(4.72) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 F 0.06 Y 0.01 H 0.01 C Shift Assignments>> C :: 170.688 CA :: 53.904 CB :: 36.436 CD1 :: 131.637 CD2 :: 131.637 CE1 :: 127.721 CE2 :: 127.721 CZ :: 126.197 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 :: 7.117 HA :: 4.444 HB2 :: 3.739 HB3 :: 2.732 HD1 :: 7.592 HD2 :: 7.592 HE1 :: 7.196 HE2 :: 7.196 HZ :: 7.089 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 :: 123.294 Ave N Shift Values>> N :: 120.69(4.18) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.26 K 0.22 E 0.08 R 0.03 M 0.02 P 0.01 C Shift Assignments>> C :: 176.769 CA :: 52.916 CB :: 28.404 CG :: 34.467 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 :: 8.660 HA :: 4.365 HB2 :: 2.131 HB3 :: 1.877 HG2 :: 2.299 HG3 :: 2.393 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 :: 119.626 Ave N Shift Values>> N :: 120.68(3.68) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.2 I 0.03 C 0.01 C Shift Assignments>> C :: 177.505 CA :: 54.858 CB :: 16.112 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.141 HA :: 3.990 HB1 :: 1.344 HB2 :: 1.344 HB3 :: 1.344 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.482 Ave N Shift Values>> N :: 123.23(3.7) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 M 0.16 E 0.14 N 0.14 K 0.07 Q 0.05 Y 0.04 F 0.01 C Shift Assignments>> C :: 174.584 CA :: 53.831 CB :: 35.687 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 :: 8.979 HA :: 4.540 HB2 :: 2.811 HB3 :: 2.811 HD21 :: 6.656 HD22 :: 7.512 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.091 ND2 :: 110.812 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 C 0.2 Y 0.17 D 0.14 F 0.13 L 0.04 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 175.342 CA :: 55.122 CB :: 38.644 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 :: 8.261 HA :: 4.416 HB2 :: 3.073 HB3 :: 2.709 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.769 Ave N Shift Values>> N :: 120.73(4.2) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 C 0.28 L 0.18 C Shift Assignments>> C :: 175.753 CA :: 53.745 CB :: 41.414 CG :: 25.548 CD1 :: 20.778 CD2 :: 23.782 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 :: 6.745 HA :: 4.254 HB2 :: 1.801 HB3 :: 0.962 HG :: 1.309 HD11 :: 0.656 HD12 :: 0.656 HD13 :: 0.656 HD21 :: 0.663 HD22 :: 0.663 HD23 :: 0.663 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 :: 113.906 Ave N Shift Values>> N :: 121.98(4.07) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 F 0.42 C Shift Assignments>> C :: 173.596 CA :: 60.286 CB :: 38.610 CD1 :: 129.486 CD2 :: 129.486 CE1 :: 129.480 CE2 :: 129.480 CZ :: 127.390 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 :: 8.527 HA :: 4.015 HB2 :: 3.008 HB3 :: 3.008 HD1 :: 7.256 HD2 :: 7.256 HE1 :: 7.365 HE2 :: 7.365 HZ :: 7.120 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 :: 117.856 Ave N Shift Values>> N :: 120.69(4.18) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.26 K 0.19 R 0.07 E 0.04 P 0.02 M 0.01 C Shift Assignments>> C :: 173.799 CA :: 52.969 CB :: 27.388 CG :: 34.147 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 :: 8.224 HA :: 4.311 HB2 :: 2.195 HB3 :: 1.907 HG2 :: 2.122 HG3 :: 2.381 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 :: 112.016 Ave N Shift Values>> N :: 120.68(3.68) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.19 P 0.1 Q 0.09 K 0.07 N 0.06 E 0.03 H 0.02 W 0.01 R 0.01 Y 0.01 C Shift Assignments>> C :: 172.863 CA :: 51.810 CB :: 34.525 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 :: 7.474 HA :: 4.122 HB2 :: 2.924 HB3 :: 2.654 HD21 :: 6.711 HD22 :: 7.647 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.738 ND2 :: 111.572 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 S 0.16 C 0.15 HN Overlap>> 1.D44 1.D44 C Shift Assignments>> C :: 175.447 CA :: 60.938 CB :: 66.937 CG2 :: 20.086 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 :: 7.628 HA :: 4.060 HB :: 4.134 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.307 Ave N Shift Values>> N :: 115.7(5.05) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 C 0.34 N 0.1 M 0.08 Q 0.02 K 0.02 E 0.01 C Shift Assignments>> CA :: 50.190 CB :: 35.016 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 :: 8.338 HA :: 4.738 HB2 :: 2.941 HB3 :: 2.638 HD21 :: 7.799 HD22 :: 6.878 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.321 ND2 :: 112.170 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.41 C 0.3 H 0.27 C Shift Assignments>> CA :: 55.807 CB :: 28.413 CD2 :: 114.713 CE1 :: 136.969 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 :: 8.956 HA :: 4.303 HB2 :: 2.955 HB3 :: 2.955 HD2 :: 6.791 HE1 :: 7.676 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 :: 122.714 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.2 S 0.1 C Shift Assignments>> C :: 173.843 CA :: 65.311 CB :: 65.226 CG2 :: 20.130 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 :: 8.487 HA :: 4.206 HB :: 3.900 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 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 :: 116.594 Ave N Shift Values>> N :: 115.7(5.05) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.33 K 0.25 Q 0.04 M 0.02 C Shift Assignments>> C :: 175.848 CA :: 55.632 CB :: 26.254 CG :: 31.533 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 :: 7.645 HA :: 4.099 HB2 :: 2.116 HB3 :: 1.906 HG2 :: 2.200 HG3 :: 2.608 HE21 :: 7.164 HE22 :: 6.690 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 :: 122.299 NE2 :: 113.095 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.39 V 0.04 C Shift Assignments>> C :: 175.603 CA :: 64.104 CB :: 28.459 CG1 :: 17.600 CG2 :: 19.012 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 :: 7.425 HA :: 3.527 HB :: 2.061 HG11 :: 0.448 HG12 :: 0.448 HG13 :: 0.448 HG21 :: 0.357 HG22 :: 0.357 HG23 :: 0.357 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.115 Ave N Shift Values>> N :: 121.02(4.96) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.21 K 0.18 R 0.14 E 0.04 I 0.02 P 0.01 C Shift Assignments>> C :: 175.010 CA :: 58.805 CB :: 26.949 CG :: 33.507 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 :: 8.186 HA :: 3.677 HB2 :: 2.250 HB3 :: 1.989 HG2 :: 1.856 HG3 :: 1.782 HE21 :: 6.546 HE22 :: 6.252 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.914 NE2 :: 110.145 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.864 CA :: 60.392 CB :: 60.195 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.668 HA :: 4.081 HB2 :: 4.065 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.980 Ave N Shift Values>> N :: 116.3(3.95) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.11 S 0.02 C Shift Assignments>> C :: 174.154 CA :: 64.639 CB :: 66.306 CG2 :: 22.217 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 :: 8.848 HA :: 4.182 HB :: 4.690 HG21 :: 1.379 HG22 :: 1.379 HG23 :: 1.379 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.874 Ave N Shift Values>> N :: 115.7(5.05) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 A 0.36 L 0.02 HN Overlap>> 1.M118 1.M118 C Shift Assignments>> C :: 176.638 CA :: 55.934 CB :: 39.834 CG :: 24.616 CD1 :: 23.587 CD2 :: 19.373 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 :: 8.186 HA :: 4.301 HB2 :: 2.240 HB3 :: 1.593 HG :: 2.239 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 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 :: 120.395 Ave N Shift Values>> N :: 121.98(4.07) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.28 L 0.02 C Shift Assignments>> C :: 177.270 CA :: 55.596 CB :: 38.295 CG :: 24.235 CD1 :: 23.476 CD2 :: 20.791 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 :: 8.705 HA :: 4.144 HB2 :: 2.011 HB3 :: 1.462 HG :: 1.801 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.865 Ave N Shift Values>> N :: 121.98(4.07) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.31 C 0.01 C Shift Assignments>> C :: 179.290 CA :: 52.797 CB :: 15.298 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.370 HA :: 4.281 HB1 :: 1.651 HB2 :: 1.651 HB3 :: 1.651 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.317 Ave N Shift Values>> N :: 123.23(3.7) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.26 A 0.13 C Shift Assignments>> C :: 175.493 CA :: 55.685 CB :: 39.901 CG :: 25.186 CD1 :: 21.832 CD2 :: 24.923 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 :: 8.780 HA :: 4.155 HB2 :: 2.677 HB3 :: 1.507 HG :: 1.888 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 1.030 HD22 :: 1.030 HD23 :: 1.030 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 :: 121.869 Ave N Shift Values>> N :: 121.98(4.07) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.18 I 0.01 C 0.01 C Shift Assignments>> C :: 176.799 CA :: 53.311 CB :: 14.832 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.497 HA :: 4.047 HB1 :: 1.118 HB2 :: 1.118 HB3 :: 1.118 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.780 Ave N Shift Values>> N :: 123.23(3.7) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.320 CA :: 59.677 CB :: 60.573 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.046 HA :: 4.019 HB2 :: 3.978 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 :: 112.140 Ave N Shift Values>> N :: 116.3(3.95) 1.M118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 M 0.15 A 0.03 HN Overlap>> 1.L112 1.L112 C Shift Assignments>> C :: 176.349 CA :: 54.291 CB :: 28.585 CG :: 29.784 CE :: 13.917 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 :: 8.088 HA :: 4.578 HB2 :: 2.204 HB3 :: 2.123 HG2 :: 2.436 HG3 :: 2.097 HE1 :: 1.947 HE2 :: 1.947 HE3 :: 1.947 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 :: 120.447 Ave N Shift Values>> N :: 120.1(3.88) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.45 C 0.01 C Shift Assignments>> C :: 179.089 CA :: 52.723 CB :: 16.320 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.332 HA :: 4.676 HB1 :: 1.731 HB2 :: 1.731 HB3 :: 1.731 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.267 Ave N Shift Values>> N :: 123.23(3.7) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 K 0.19 R 0.06 M 0.02 C Shift Assignments>> C :: 178.411 CA :: 57.361 CB :: 30.578 CG :: 23.555 CD :: 27.675 CE :: 39.954 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 :: 8.152 HA :: 4.395 HB2 :: 1.966 HB3 :: 1.901 HG2 :: 1.408 HG3 :: 1.557 HD2 :: 1.567 HD3 :: 1.638 HE2 :: 2.976 HE3 :: 2.775 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 :: 120.141 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.1 S 0.06 C Shift Assignments>> C :: 173.545 CA :: 63.437 CB :: 66.729 CG2 :: 19.406 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 :: 8.006 HA :: 4.079 HB :: 4.443 HG21 :: 1.282 HG22 :: 1.282 HG23 :: 1.282 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 :: 116.434 Ave N Shift Values>> N :: 115.7(5.05) 1.K122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 K 0.16 R 0.08 L 0.04 A 0.03 M 0.01 C Shift Assignments>> C :: 174.047 CA :: 54.486 CB :: 30.187 CG :: 23.684 CD :: 27.199 CE :: 40.104 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 :: 7.512 HA :: 4.254 HB2 :: 2.109 HB3 :: 1.632 HG2 :: 1.333 HG3 :: 1.207 HD2 :: 1.315 HD3 :: 1.105 HE2 :: 2.429 HE3 :: 2.232(S) 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 :: 119.116 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.235 CA :: 43.291 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.768 HA2 :: 4.226 HA3 :: 3.712 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.809 Ave N Shift Values>> N :: 109.91(4.29) 1.N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.22 D 0.07 Y 0.03 F 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 172.100 CA :: 51.155 CB :: 37.637 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 :: 7.652 HA :: 4.614 HB2 :: 2.604 HB3 :: 2.257 HD21 :: 7.514 HD22 :: 7.475 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.972 ND2 :: 114.630 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 A 0.24 L 0.2 R 0.03 C Shift Assignments>> C :: 173.322 CA :: 53.868 CB :: 28.889 CG :: 22.110 CD :: 26.604 CE :: 39.954 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 :: 8.842 HA :: 4.306 HB2 :: 1.725 HB3 :: 1.725 HG2 :: 1.377 HG3 :: 1.377 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.969 HE3 :: 2.788 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.684 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 I 0.08 A 0.01 C Shift Assignments>> C :: 172.597 CA :: 58.964 CB :: 31.938 CG1 :: 17.231 CG2 :: 17.480 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 :: 8.172 HA :: 3.649 HB :: 1.468 HG11 :: -0.298(S) HG12 :: -0.298(S) HG13 :: -0.298(S) HG21 :: 0.422 HG22 :: 0.422 HG23 :: 0.422 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.212 Ave N Shift Values>> N :: 121.02(4.96) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 C 0.31 M 0.07 N 0.07 Q 0.02 K 0.02 C Shift Assignments>> C :: 171.988 CA :: 50.132 CB :: 34.833 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.006 HA :: 4.732 HB2 :: 2.709 HB3 :: 2.511 HD21 :: 6.727 HD22 :: 7.573 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.307 ND2 :: 112.605 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.14 A 0.03 C Shift Assignments>> C :: 173.597 CA :: 58.422 CB :: 32.219 CG1 :: 18.834 CG2 :: 18.828 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.838 HA :: 3.915 HB :: 1.240 HG11 :: 0.724 HG12 :: 0.724 HG13 :: 0.724 HG21 :: 0.481 HG22 :: 0.481 HG23 :: 0.481 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 :: 119.495 Ave N Shift Values>> N :: 121.02(4.96) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 171.154 CA :: 43.658 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.066 HA2 :: 3.860 HA3 :: 3.573 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.424 Ave N Shift Values>> N :: 109.91(4.29) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.08 V 0.05 A 0.02 C Shift Assignments>> C :: 173.774 CA :: 58.885 CB :: 30.990 CG1 :: 19.229 CG2 :: 17.245 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 :: 7.882 HA :: 4.153 HB :: 2.015 HG11 :: 0.782 HG12 :: 0.782 HG13 :: 0.782 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 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 :: 116.831 Ave N Shift Values>> N :: 121.02(4.96) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.198 CA :: 56.037 CB :: 61.644 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.358 HA :: 4.398 HB2 :: 3.761 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 :: 118.599 Ave N Shift Values>> N :: 116.3(3.95) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 K 0.19 R 0.13 D 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 169.352 CA :: 42.251 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.219 HA2 :: 4.092 HA3 :: 3.971 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.399 Ave N Shift Values>> N :: 109.91(4.29) 1.P133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.77 G 0.21 C Shift Assignments>> C :: 175.035 CA :: 60.889 CB :: 29.895 CG :: 24.861 CD :: 47.453 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 :: 4.391 HB2 :: 2.211 HB3 :: 1.893 HG2 :: 1.930 HG3 :: 1.930 HD2 :: 3.525 HD3 :: 3.525 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.169 CA :: 56.002 CB :: 61.416 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.469 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 :: 116.093 Ave N Shift Values>> N :: 116.3(3.95) 1.S135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 127 #Clerical: 0 #Suspicious: 4 #Anomalous: 3 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 123 #Suspicious: 1 #Mistyped: 2 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 136 #Suspicious: 0 C Shift Results: #Consistent: 561 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 2 H Shift Results: #Consistent: 904 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 1 N Shift Results: #Consistent: 144 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E19 HG2 = 0.840(A), Expected = 2.31, Std = 0.2100, ChiSquare = 2.5596e-12 1.E19 HG3 = 1.491(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6193e-05 1.I26 HG12 = -1.278(S), Expected = 1.30, Std = 0.4000, ChiSquare = 1.1560e-10 1.G35 Typing: Mistyped 1.L42 Typing: Suspicious 1.L42 CG = 22.499(S), Expected = 26.77, Std = 1.2500, ChiSquare = 6.3362e-04 1.L48 Typing: Mistyped 1.L48 CD1 = 18.619(S), Expected = 24.73, Std = 1.7100, ChiSquare = 3.5199e-04 1.L48 HB3 = 0.056(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.6044e-05 1.Q56 C = 168.090(A), Expected = 176.39, Std = 1.9600, ChiSquare = 2.2886e-05 1.Y86 CE2 = 114.764(A), Expected = 117.91, Std = 2.6000, ChiSquare = 2.2628e-01 1.K122 HE3 = 2.232(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.8302e-04 1.V126 HG11 = -0.298(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.4998e-05 1.V126 HG12 = -0.298(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.4998e-05 1.V126 HG13 = -0.298(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.4998e-05