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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.869 CA :: 45.709 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.975 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.08 I 0.08 M 0.07 Q 0.04 C Shift Assignments>> C :: 177.409 CA :: 57.624 CB :: 30.038 CG :: 36.239 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 :: 8.311 HA :: 4.234 HB2 :: 2.017 HB3 :: 2.070 HG2 :: 2.294 HG3 :: 2.294 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 :: 121.513 Ave N Shift Values>> N :: 120.68(3.68) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 179.145 CA :: 54.074 CB :: 18.704 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 :: 4.217 HB1 :: 1.464 HB2 :: 1.464 HB3 :: 1.464 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.145 Ave N Shift Values>> N :: 123.23(3.7) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.23 E 0.14 R 0.05 M 0.03 I 0.01 HN Overlap>> 1.N97 1.N97 C Shift Assignments>> C :: 177.460 CA :: 57.456 CB :: 28.809 CG :: 34.118 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 :: 8.320 HA :: 4.245 HB2 :: 2.152 HB3 :: 2.104 HG2 :: 2.448 HG3 :: 2.448 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 :: 118.213 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.557 CA :: 64.791 CB :: 69.135 CG2 :: 22.084 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 :: 8.014 HA :: 4.020 HB :: 4.291 HG21 :: 1.257 HG22 :: 1.257 HG23 :: 1.257 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 :: 115.558 Ave N Shift Values>> N :: 115.7(5.05) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.46 C 0.37 K 0.08 G 0.05 L 0.01 C Shift Assignments>> C :: 177.984 CA :: 58.719 CB :: 29.902 CG :: 27.209 CD :: 43.121 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>> HA :: 4.073 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 1.712 HG3 :: 1.712 HD2 :: 3.248 HD3 :: 3.248 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) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.303 CA :: 65.812 CB :: 31.833 CG1 :: 22.009 CG2 :: 21.399 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 :: 7.674 HA :: 3.801 HB :: 2.096 HG11 :: 1.089 HG12 :: 1.089 HG13 :: 1.089 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 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 :: 118.857 Ave N Shift Values>> N :: 121.02(4.96) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.2 M 0.02 G 0.01 C Shift Assignments>> C :: 177.853 CA :: 59.554 CB :: 32.103 CG :: 25.053 CD :: 29.923 CE :: 42.168 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 :: 7.574 HA :: 3.325 HB2 :: 1.721 HB3 :: 1.357 HG2 :: 1.127 HG3 :: 0.824 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.979 HE3 :: 2.979 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 :: 122.277 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.04 HN Overlap>> 1.Q20 1.Q20 C Shift Assignments>> CA :: 57.810 CB :: 41.395 CG :: 26.900 CD1 :: 25.307 CD2 :: 22.943 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 :: 8.114 HA :: 4.078 HB2 :: 1.787 HB3 :: 1.583 HG :: 1.791 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 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 :: 119.137 Ave N Shift Values>> N :: 121.98(4.07) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.21 F 0.16 N 0.12 D 0.09 E 0.07 I 0.04 L 0.03 M 0.01 C Shift Assignments>> CA :: 55.990 CB :: 38.382 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 :: 8.436 HA :: 4.567 HB2 :: 2.976 HB3 :: 2.911 HD21 :: 7.794 HD22 :: 6.975 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 :: 118.360 ND2 :: 112.220 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> CA :: 61.666 CB :: 39.439 CD1 :: 132.338 CD2 :: 132.338 CE1 :: 130.926 CE2 :: 130.926 CZ :: 129.353 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 :: 8.027 HA :: 4.410 HB2 :: 3.426 HB3 :: 3.531 HD1 :: 7.453 HD2 :: 7.453 HE1 :: 7.267 HE2 :: 7.267 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 :: 121.640 Ave N Shift Values>> N :: 120.69(4.18) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.38 R 0.07 C Shift Assignments>> CA :: 57.491 CB :: 41.267 CG :: 27.440 CD1 :: 25.624 CD2 :: 22.720 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 :: 8.320 HA :: 3.909 HB2 :: 1.552 HB3 :: 1.986 HG :: 2.104 HD11 :: 1.039 HD12 :: 1.039 HD13 :: 1.039 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 :: 118.807 Ave N Shift Values>> N :: 121.98(4.07) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.17 L 0.14 Y 0.14 C 0.13 D 0.08 R 0.06 I 0.03 HN Overlap>> 1.K23 1.K23 C Shift Assignments>> C :: 177.842 CA :: 57.435 CB :: 41.373 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 :: 8.024 HA :: 4.457 HB2 :: 2.879 HB3 :: 2.777 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 :: 119.671 Ave N Shift Values>> N :: 120.73(4.2) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.19 E 0.18 Q 0.18 I 0.07 R 0.03 M 0.01 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 179.637 CA :: 59.150 CB :: 28.527 CG :: 34.662 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 :: 8.114 HA :: 4.003 HB2 :: 2.251 HB3 :: 2.251 HG2 :: 2.624 HG3 :: 2.624 HE21 :: 7.531 HE22 :: 6.995 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 :: 119.036 NE2 :: 112.821 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> CA :: 63.780 CB :: 37.032 CG1 :: 28.882 CG2 :: 17.401 CD1 :: 14.401 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 :: 8.315 HA :: 3.525 HB :: 0.970 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.531 HG22 :: 0.531 HG23 :: 0.531 HD11 :: 0.503 HD12 :: 0.503 HD13 :: 0.503 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 :: 119.675 Ave N Shift Values>> N :: 121.6(4.72) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.22 I 0.08 C 0.03 V 0.01 C Shift Assignments>> CA :: 56.054 CB :: 18.014 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.899 HA :: 4.202 HB1 :: 1.634 HB2 :: 1.634 HB3 :: 1.634 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.953 Ave N Shift Values>> N :: 123.23(3.7) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.24 M 0.01 HN Overlap>> 1.D19 1.D19 C Shift Assignments>> C :: 178.468 CA :: 58.923 CB :: 31.925 CG :: 25.372 CD :: 28.580 CE :: 42.021 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 :: 8.124 HA :: 4.075 HB2 :: 1.948 HB3 :: 1.948 HG2 :: 1.597 HG3 :: 1.519 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.990 HE3 :: 2.990 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 :: 119.710 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 HN Overlap>> 1.R106 1.L100 1.R106 1.L100 C Shift Assignments>> C :: 177.318 CA :: 61.650 CB :: 38.008 CD1 :: 132.341 CD2 :: 132.341 CE1 :: 117.592 CE2 :: 117.592 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 :: 7.959 HA :: 3.816 HB2 :: 3.004 HB3 :: 2.906 HD1 :: 5.683 HD2 :: 5.683 HE1 :: 5.290 HE2 :: 5.290 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.127 Ave N Shift Values>> N :: 120.79(4.69) 1.W25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.43 H 0.01 C Shift Assignments>> C :: 178.781 CA :: 60.882 CB :: 28.301 CD1 :: 126.377 CE3 :: 120.742 CZ2 :: 115.725 CZ3 :: 122.432 CH2 :: 124.958 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 :: 7.851 HA :: 4.089 HB2 :: 2.955 HB3 :: 3.439 HD1 :: 7.299 HE1 :: 10.042 HE3 :: 7.593 HZ2 :: 7.827 HZ3 :: 7.223 HH2 :: 7.441 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 :: 119.328 NE1 :: 124.631 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.2 K 0.07 Q 0.02 M 0.02 HN Overlap>> 1.E121 1.E121 C Shift Assignments>> C :: 181.336 CA :: 59.518 CB :: 29.595 CG :: 36.252 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 :: 8.378 HA :: 4.225 HB2 :: 2.206 HB3 :: 2.206 HG2 :: 2.416 HG3 :: 2.227 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 :: 122.196 Ave N Shift Values>> N :: 120.68(3.68) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.36 R 0.03 C Shift Assignments>> C :: 178.624 CA :: 57.473 CB :: 41.240 CG :: 26.835 CD1 :: 25.258 CD2 :: 23.393 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 :: 7.958 HA :: 4.072 HB2 :: 1.471 HB3 :: 1.734 HG :: 1.699 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 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 :: 121.915 Ave N Shift Values>> N :: 121.98(4.07) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 C 0.26 R 0.22 Q 0.15 M 0.06 C Shift Assignments>> C :: 176.637 CA :: 54.355 CB :: 28.060 CG :: 32.214 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 :: 7.296 HA :: 4.175 HB2 :: 1.931 HB3 :: 2.380 HG2 :: 1.448 HG3 :: 1.593 HE21 :: 5.794 HE22 :: 6.375 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.015 NE2 :: 113.275 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.253 CA :: 45.541 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.919 HA2 :: 4.266 HA3 :: 3.832 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.308 Ave N Shift Values>> N :: 109.91(4.29) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.630 CA :: 56.054 CB :: 65.058 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.079 HA :: 4.826 HB2 :: 3.754 HB3 :: 3.833 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 :: 115.796 Ave N Shift Values>> N :: 116.3(3.95) 1.T31 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 :: 174.003 CA :: 61.921 CB :: 70.412 CG2 :: 21.620 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 :: 8.276 HA :: 4.264 HB :: 3.909 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 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 :: 117.181 Ave N Shift Values>> N :: 115.7(5.05) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.27 R 0.17 G 0.03 K 0.01 C Shift Assignments>> C :: 175.030 CA :: 55.511 CB :: 42.618 CG :: 27.161 CD1 :: 26.619 CD2 :: 23.715 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 :: 8.974 HA :: 3.981 HB2 :: 1.930 HB3 :: 1.276 HG :: 1.259 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.633 HD22 :: 0.633 HD23 :: 0.633 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 :: 127.826 Ave N Shift Values>> N :: 121.98(4.07) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.32 R 0.15 M 0.03 C Shift Assignments>> C :: 175.149 CA :: 54.285 CB :: 32.920 CG :: 24.452 CD :: 28.914 CE :: 42.008 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 :: 8.240 HA :: 4.495 HB2 :: 1.555 HB3 :: 1.627 HG2 :: 1.208 HG3 :: 1.304 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.924 HE3 :: 2.924 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 :: 129.940 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> C :: 174.714 CA :: 59.522 CB :: 37.620 CG1 :: 28.279 CG2 :: 18.538 CD1 :: 12.333 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 :: 8.664 HA :: 3.971 HB :: 1.830 HG12 :: 1.666 HG13 :: 1.086 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 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 :: 127.179 Ave N Shift Values>> N :: 121.6(4.72) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 174.409 CA :: 62.547 CB :: 32.415 CG :: 26.526 CD :: 50.422 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 :: 4.440 HB2 :: 1.738 HB3 :: 1.115 HG2 :: 1.195 HG3 :: 1.242 HD2 :: 3.348 HD3 :: 3.923 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.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 H 0.32 W 0.27 C Shift Assignments>> C :: 175.853 CA :: 55.208 CB :: 32.830 CD2 :: 119.276 CE1 :: 138.226 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 :: 8.187 HA :: 5.161 HB2 :: 2.826 HB3 :: 2.584 HD2 :: 6.646 HE1 :: 7.722 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 :: 116.522 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.747 CA :: 61.741 CB :: 34.348 CG1 :: 22.243 CG2 :: 21.134 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 :: 9.187 HA :: 4.082 HB :: 1.782 HG11 :: 0.785 HG12 :: 0.785 HG13 :: 0.785 HG21 :: 0.483 HG22 :: 0.483 HG23 :: 0.483 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 :: 123.121 Ave N Shift Values>> N :: 121.02(4.96) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.28 I 0.2 K 0.06 Q 0.01 C Shift Assignments>> C :: 175.566 CA :: 57.648 CB :: 27.942 CG :: 37.000 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 :: 9.309 HA :: 3.810 HB2 :: 2.402 HB3 :: 2.213 HG2 :: 2.377 HG3 :: 2.235 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 :: 125.644 Ave N Shift Values>> N :: 120.68(3.68) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.32 L 0.16 G 0.09 K 0.05 C Shift Assignments>> C :: 175.271 CA :: 57.806 CB :: 27.777 CG :: 27.762 CD :: 43.329 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 :: 8.700 HA :: 3.809 HB2 :: 2.205 HB3 :: 2.085 HG2 :: 1.584 HG3 :: 1.584 HD2 :: 3.226 HD3 :: 3.226 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 :: 108.820 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.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.13 M 0.02 G 0.01 C Shift Assignments>> C :: 175.386 CA :: 54.911 CB :: 35.069 CG :: 24.430 CD :: 29.135 CE :: 42.094 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 :: 8.178 HA :: 4.699 HB2 :: 1.927 HB3 :: 1.927 HG2 :: 1.496 HG3 :: 1.496 HD2 :: 1.515 HD3 :: 1.515 HE2 :: 2.836 HE3 :: 2.836 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 :: 121.381 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.162 CA :: 61.994 CB :: 38.352 CG1 :: 28.623 CG2 :: 17.334 CD1 :: 12.918 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 :: 8.398 HA :: 3.536 HB :: 1.567 HG12 :: 1.300 HG13 :: 0.857 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 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 :: 124.002 Ave N Shift Values>> N :: 121.6(4.72) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.23 R 0.14 G 0.08 C Shift Assignments>> C :: 174.724 CA :: 54.615 CB :: 43.288 CG :: 27.084 CD1 :: 26.477 CD2 :: 24.084 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 :: 8.303 HA :: 4.356 HB2 :: 1.016 HB3 :: 1.758 HG :: 1.341 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 HD21 :: 1.073 HD22 :: 1.073 HD23 :: 1.073 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 :: 130.065 Ave N Shift Values>> N :: 121.98(4.07) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.29 C 0.12 L 0.1 F 0.06 Y 0.06 K 0.02 C Shift Assignments>> C :: 175.625 CA :: 52.909 CB :: 40.178 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.057 HA :: 4.723 HB2 :: 2.674 HB3 :: 3.198 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 :: 127.392 Ave N Shift Values>> N :: 120.73(4.2) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.34 R 0.21 G 0.06 C Shift Assignments>> CA :: 57.737 CB :: 43.070 CG :: 26.772 CD1 :: 27.022 CD2 :: 22.553 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 :: 8.238 HA :: 4.067 HB2 :: 2.076 HB3 :: 1.677 HG :: 2.042 HD11 :: 1.043 HD12 :: 1.043 HD13 :: 1.043 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.818 Ave N Shift Values>> N :: 121.98(4.07) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.24 Y 0.22 C Shift Assignments>> C :: 176.818 CA :: 61.317 CB :: 39.264 CD1 :: 131.552 CD2 :: 131.552 CE1 :: 131.469 CE2 :: 131.469 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 :: 8.629 HA :: 3.608 HB2 :: 3.069 HB3 :: 3.265 HD1 :: 6.919 HD2 :: 6.919 HE1 :: 7.259 HE2 :: 7.259 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 :: 119.163 Ave N Shift Values>> N :: 120.69(4.18) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.25 Q 0.24 R 0.08 E 0.08 M 0.04 I 0.01 C Shift Assignments>> C :: 177.754 CA :: 58.158 CB :: 28.721 CG :: 33.440 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 :: 8.144 HA :: 3.798 HB2 :: 2.074 HB3 :: 2.074 HG2 :: 2.344 HG3 :: 2.461 HE21 :: 7.305 HE22 :: 6.933 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 :: 121.253 NE2 :: 109.933 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.3 L 0.26 R 0.04 G 0.01 C Shift Assignments>> C :: 177.302 CA :: 58.278 CB :: 42.170 CD1 :: 27.130 CD2 :: 24.291 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 :: 8.540 HA :: 4.297 HB2 :: 1.630 HB3 :: 2.152 HD11 :: 1.215 HD12 :: 1.215 HD13 :: 1.215 HD21 :: 1.334 HD22 :: 1.334 HD23 :: 1.334 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 :: 118.859 Ave N Shift Values>> N :: 121.98(4.07) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.1 L 0.07 I 0.06 N 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 178.389 CA :: 57.123 CB :: 39.746 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 :: 8.091 HA :: 4.614 HB2 :: 2.889 HB3 :: 2.709 HD21 :: 7.305 HD22 :: 7.662 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 :: 116.352 ND2 :: 112.493 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.13 M 0.03 C Shift Assignments>> C :: 178.690 CA :: 59.046 CB :: 32.545 CG :: 24.248 CD :: 29.511 CE :: 41.903 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 :: 7.709 HA :: 3.872 HB2 :: 1.448 HB3 :: 1.673 HG2 :: 1.209 HG3 :: 1.093 HD2 :: 1.438 HD3 :: 1.438 HE2 :: 2.790 HE3 :: 2.870 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 :: 119.396 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.3 L 0.23 G 0.05 K 0.01 C Shift Assignments>> C :: 179.347 CA :: 57.785 CB :: 42.887 CG :: 27.268 CD1 :: 23.179 CD2 :: 27.394 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 :: 8.665 HA :: 4.031 HB2 :: 1.277 HB3 :: 1.966 HG :: 1.919 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.923 HD22 :: 0.923 HD23 :: 0.923 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 :: 119.896 Ave N Shift Values>> N :: 121.98(4.07) 1.V51 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 :: 177.992 CA :: 66.878 CB :: 31.191 CG1 :: 25.226 CG2 :: 19.908 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 :: 8.125 HA :: 3.151 HB :: 2.055 HG11 :: 0.806 HG12 :: 0.806 HG13 :: 0.806 HG21 :: 0.469 HG22 :: 0.469 HG23 :: 0.469 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 :: 117.863 Ave N Shift Values>> N :: 121.02(4.96) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.25 I 0.06 C 0.03 C Shift Assignments>> C :: 181.905 CA :: 55.650 CB :: 17.725 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.384 HA :: 3.976 HB1 :: 1.488 HB2 :: 1.488 HB3 :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.724 Ave N Shift Values>> N :: 123.23(3.7) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.2 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.389 CA :: 59.116 CB :: 29.714 CG :: 36.704 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 :: 8.456 HA :: 3.948 HB2 :: 2.050 HB3 :: 2.164 HG2 :: 2.237 HG3 :: 2.456 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 :: 120.447 Ave N Shift Values>> N :: 120.68(3.68) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.28 Q 0.15 K 0.13 M 0.11 I 0.01 C Shift Assignments>> C :: 175.457 CA :: 55.479 CB :: 29.981 CG :: 35.374 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 :: 7.460 HA :: 4.197 HB2 :: 1.557 HB3 :: 2.024 HG2 :: 2.306 HG3 :: 1.890 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 :: 116.016 Ave N Shift Values>> N :: 120.68(3.68) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.964 CA :: 44.733 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.417 HA2 :: 4.463 HA3 :: 3.641 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.511 Ave N Shift Values>> N :: 109.91(4.29) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.12 C 0.08 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.404 CA :: 43.614 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.457 HA2 :: 4.580 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 :: 110.212 Ave N Shift Values>> N :: 109.91(4.29) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.35 C 0.18 C Shift Assignments>> C :: 176.303 CA :: 62.377 CB :: 40.205 CD1 :: 132.577 CD2 :: 132.577 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 :: 8.785 HA :: 3.627 HB2 :: 3.184 HB3 :: 3.305 HD1 :: 7.281 HD2 :: 7.281 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 :: 119.282 Ave N Shift Values>> N :: 120.69(4.18) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.25 I 0.06 C 0.03 C Shift Assignments>> C :: 180.896 CA :: 55.737 CB :: 17.827 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.762 HA :: 3.891 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.609 Ave N Shift Values>> N :: 123.23(3.7) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.088 CA :: 66.354 CB :: 31.659 CG1 :: 23.351 CG2 :: 21.760 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 :: 7.612 HA :: 3.485 HB :: 1.725 HG11 :: 0.986 HG12 :: 0.986 HG13 :: 0.986 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 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 :: 120.530 Ave N Shift Values>> N :: 121.02(4.96) 1.V60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.51 C 0.47 I 0.01 C Shift Assignments>> C :: 178.529 CA :: 66.925 CB :: 30.620 CG1 :: 25.467 CG2 :: 19.279 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 :: 8.119 HA :: 2.935 HB :: 1.275 HG11 :: 0.493 HG12 :: 0.493 HG13 :: 0.493 HG21 :: -1.173(S) HG22 :: -1.173(S) HG23 :: -1.173(S) 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 :: 120.018 Ave N Shift Values>> N :: 121.02(4.96) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.39 C 0.06 W 0.01 R 0.01 V 0.01 C Shift Assignments>> C :: 178.250 CA :: 63.532 CB :: 27.364 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.697 HA :: 4.269 HB2 :: 2.887 HB3 :: 2.760 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 :: 113.436 Ave N Shift Values>> N :: 119.95(4.79) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.16 M 0.02 C Shift Assignments>> CA :: 59.735 CB :: 32.423 CG :: 24.247 CD :: 29.085 CE :: 41.969 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 :: 8.326 HA :: 3.972 HB2 :: 1.892 HB3 :: 1.793 HG2 :: 1.473 HG3 :: 1.473 HD2 :: 1.699 HD3 :: 1.614 HE2 :: 2.919 HE3 :: 2.919 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 :: 123.194 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.21 C 0.13 L 0.11 F 0.1 Y 0.1 K 0.02 C Shift Assignments>> CA :: 54.324 CB :: 39.963 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 :: 8.549 HA :: 4.685 HB2 :: 2.746 HB3 :: 2.442 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.465 Ave N Shift Values>> N :: 120.73(4.2) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.32 G 0.15 R 0.09 K 0.07 C Shift Assignments>> CA :: 57.322 CB :: 26.444 CG :: 27.410 CD :: 43.844 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 :: 7.573 HA :: 4.118 HB2 :: 1.949 HB3 :: 2.175 HG2 :: 1.666 HG3 :: 1.697 HD2 :: 3.324 HD3 :: 3.291 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 :: 117.247 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.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.32 R 0.28 M 0.03 C Shift Assignments>> CA :: 56.050 CB :: 33.693 CG :: 25.775 CD :: 30.178 CE :: 42.073 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 :: 8.485 HA :: 4.640 HB2 :: 1.931 HB3 :: 1.326 HG2 :: 1.257 HG3 :: 1.257 HD2 :: 1.816 HD3 :: 1.501 HE2 :: 2.867 HE3 :: 2.867 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 :: 115.367 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.69 C 0.3 C Shift Assignments>> CA :: 61.097 CB :: 28.153 CD1 :: 126.430 CE3 :: 120.204 CZ2 :: 114.082 CZ3 :: 121.342 CH2 :: 123.414 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 :: 7.807 HA :: 4.048 HB2 :: 3.246 HB3 :: 3.354 HD1 :: 7.550 HE1 :: 9.379 HE3 :: 7.391 HZ2 :: 7.306 HZ3 :: 6.757 HH2 :: 6.636 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 :: 120.552 NE1 :: 128.579 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.025 CA :: 66.788 CB :: 67.780 CG2 :: 22.394 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>> HA :: 4.019 HB :: 4.352 HG21 :: 1.295 HG22 :: 1.295 HG23 :: 1.295 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) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.37 R 0.17 M 0.01 C Shift Assignments>> C :: 179.046 CA :: 59.561 CB :: 32.383 CG :: 24.955 CD :: 29.022 CE :: 41.978 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 :: 7.749 HA :: 4.043 HB2 :: 1.937 HB3 :: 1.937 HG2 :: 1.512 HG3 :: 1.437 HE2 :: 2.922 HE3 :: 2.922 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 :: 125.267 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 177.031 CA :: 65.226 CB :: 37.352 CG1 :: 29.237 CG2 :: 17.292 CD1 :: 13.282 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 :: 7.806 HA :: 3.499 HB :: 2.052 HG12 :: 1.386 HG13 :: 0.974 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 HD11 :: 0.313 HD12 :: 0.313 HD13 :: 0.313 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 :: 119.563 Ave N Shift Values>> N :: 121.6(4.72) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.26 I 0.05 C 0.04 V 0.02 C Shift Assignments>> C :: 179.858 CA :: 55.907 CB :: 18.646 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.461 HA :: 4.088 HB1 :: 1.598 HB2 :: 1.598 HB3 :: 1.598 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.949 Ave N Shift Values>> N :: 123.23(3.7) 1.T71 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 :: 179.426 CA :: 65.942 CB :: 68.793 CG2 :: 21.563 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 :: 8.454 HA :: 4.442 HB :: 4.363 HG21 :: 1.315 HG22 :: 1.315 HG23 :: 1.315 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 :: 113.247 Ave N Shift Values>> N :: 115.7(5.05) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.33 R 0.27 G 0.01 M 0.01 C Shift Assignments>> C :: 178.339 CA :: 59.477 CB :: 32.386 CG :: 26.068 CD :: 29.442 CE :: 42.240 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 :: 8.226 HA :: 4.130 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 1.490 HG3 :: 1.689 HD2 :: 1.631 HD3 :: 1.631 HE2 :: 2.934 HE3 :: 2.934 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 :: 125.486 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.36 A 0.08 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 175.582 CA :: 57.015 CB :: 33.960 CG :: 34.089 CE :: 18.020 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 :: 7.821 HA :: 4.230 HB2 :: 2.469 HB3 :: 2.251 HG2 :: 2.891 HG3 :: 2.248 HE1 :: 2.411 HE2 :: 2.411 HE3 :: 2.411 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.166 Ave N Shift Values>> N :: 120.1(3.88) 1.G74 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 :: 174.459 CA :: 45.216 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.799 HA2 :: 4.067 HA3 :: 3.700 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.097 Ave N Shift Values>> N :: 109.91(4.29) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 175.387 CA :: 57.824 CB :: 39.544 CD1 :: 131.594 CD2 :: 131.594 CE1 :: 131.679 CE2 :: 131.679 CZ :: 129.313 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 :: 7.859 HA :: 4.650 HB2 :: 3.215 HB3 :: 2.623 HD1 :: 7.453 HD2 :: 7.453 HE1 :: 7.394 HE2 :: 7.394 HZ :: 7.211 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 :: 119.828 Ave N Shift Values>> N :: 120.69(4.18) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C 0.01 C Shift Assignments>> C :: 176.363 CA :: 50.619 CB :: 17.686 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.196 HA :: 4.555 HB1 :: 1.485 HB2 :: 1.485 HB3 :: 1.485 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.945 Ave N Shift Values>> N :: 123.23(3.7) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.117 CA :: 63.088 CB :: 31.203 CG :: 27.460 CD :: 50.213 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 :: 4.426 HB2 :: 2.137 HB3 :: 2.037 HG2 :: 2.062 HG3 :: 2.062 HD2 :: 3.827 HD3 :: 3.715 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.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.323 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.920 HA2 :: 4.048 HA3 :: 4.136 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.419 Ave N Shift Values>> N :: 109.91(4.29) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.38 C 0.37 R 0.19 M 0.02 G 0.01 C Shift Assignments>> CA :: 57.967 CB :: 32.672 CG :: 24.968 CD :: 29.150 CE :: 42.256 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 :: 4.157 HB2 :: 1.854 HB3 :: 1.854 HG2 :: 1.468 HG3 :: 1.468 HD2 :: 1.711 HD3 :: 1.711 HE2 :: 2.990 HE3 :: 2.990 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.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.64 M 0.31 C 0.02 C Shift Assignments>> C :: 178.515 CA :: 53.445 CB :: 18.460 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.281 HB1 :: 1.303 HB2 :: 1.303 HB3 :: 1.303 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.287 CA :: 65.706 CB :: 31.327 CG1 :: 22.213 CG2 :: 20.696 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 :: 7.783 HA :: 3.766 HB :: 2.085 HG11 :: 0.810 HG12 :: 0.810 HG13 :: 0.810 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 :: 118.334 Ave N Shift Values>> N :: 121.02(4.96) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 174.875 CA :: 47.297 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.421 HA2 :: 3.565 HA3 :: 3.764 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.945 Ave N Shift Values>> N :: 109.91(4.29) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M73 1.M73 C Shift Assignments>> C :: 177.428 CA :: 61.156 CB :: 62.479 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.759 HA :: 3.938 HB2 :: 3.797 HB3 :: 3.797 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 :: 116.119 Ave N Shift Values>> N :: 116.3(3.95) 1.H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 C 0.33 H 0.32 C Shift Assignments>> C :: 178.659 CA :: 58.388 CB :: 30.641 CD2 :: 119.059 CE1 :: 139.039 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 :: 7.986 HA :: 4.338 HB2 :: 2.972 HB3 :: 3.246 HD2 :: 6.876 HE1 :: 7.750 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 :: 123.020 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> 1.S115 1.S115 C Shift Assignments>> C :: 174.535 CA :: 66.113 CB :: 37.358 CG1 :: 28.824 CG2 :: 19.476 CD1 :: 13.451 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 :: 8.286 HA :: 3.730 HB :: 2.111 HG12 :: 1.793 HG13 :: 1.354 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 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 :: 117.697 Ave N Shift Values>> N :: 121.6(4.72) 1.R86 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.35 R 0.31 G 0.2 L 0.09 K 0.04 C Shift Assignments>> C :: 178.103 CA :: 59.086 CB :: 28.388 CG :: 26.987 CD :: 43.992 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 :: 7.810 HA :: 2.204(S) HB2 :: 1.222 HB3 :: -0.178(A) HG2 :: 0.960 HD2 :: 2.764 HD3 :: 2.846 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 :: 122.183 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>> (HA > HD2 : 0.9912) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.191 CA :: 47.213 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.568 HA2 :: 3.715 HA3 :: 3.787 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.689 Ave N Shift Values>> N :: 109.91(4.29) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 H 0.31 W 0.21 C Shift Assignments>> C :: 178.365 CA :: 59.181 CB :: 31.240 CD2 :: 117.710 CE1 :: 139.647 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 :: 7.594 HA :: 4.706 HB2 :: 2.879 HB3 :: 2.676 HD2 :: 6.305 HE1 :: 7.758 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 :: 119.451 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.28 C 0.18 C Shift Assignments>> C :: 178.637 CA :: 63.294 CB :: 39.446 CD1 :: 131.213 CD2 :: 131.213 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 :: 8.873 HA :: 3.855 HB2 :: 3.156 HB3 :: 3.619 HD1 :: 7.465 HD2 :: 7.465 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.634 Ave N Shift Values>> N :: 120.79(4.69) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.36 E 0.22 M 0.01 C Shift Assignments>> C :: 177.487 CA :: 60.452 CB :: 30.407 CG :: 37.731 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 :: 9.245 HA :: 3.586 HB2 :: 2.198 HB3 :: 2.351 HG2 :: 2.505 HG3 :: 2.341 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 :: 120.299 Ave N Shift Values>> N :: 120.68(3.68) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.34 K 0.24 G 0.05 C Shift Assignments>> C :: 177.578 CA :: 58.663 CB :: 31.961 CG :: 28.458 CD :: 43.147 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 :: 8.022 HA :: 4.264 HB2 :: 1.818 HB3 :: 1.964 HG2 :: 1.517 HG3 :: 1.815 HD2 :: 3.162 HD3 :: 3.162 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 :: 114.843 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.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> CA :: 63.825 CB :: 40.469 CG1 :: 27.831 CG2 :: 18.543 CD1 :: 14.450 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 :: 8.120 HA :: 4.185 HB :: 1.747 HG12 :: 1.755 HG13 :: 0.724 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.769 Ave N Shift Values>> N :: 121.6(4.72) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.32 R 0.25 K 0.02 G 0.02 C Shift Assignments>> CA :: 56.086 CB :: 42.457 CG :: 27.490 CD1 :: 23.809 CD2 :: 26.978 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 :: 7.358 HA :: 4.521 HB2 :: 1.111 HB3 :: 1.030 HG :: 1.554 HD11 :: 1.087 HD12 :: 1.087 HD13 :: 1.087 HD21 :: 1.170 HD22 :: 1.170 HD23 :: 1.170 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 :: 117.081 Ave N Shift Values>> N :: 121.98(4.07) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.24 Y 0.17 F 0.09 I 0.09 M 0.04 K 0.02 N 0.01 C Shift Assignments>> CA :: 57.906 CB :: 36.892 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 :: 8.210 HA :: 4.599 HB2 :: 2.396 HB3 :: 2.991 HD21 :: 7.933 HD22 :: 6.378 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 :: 118.941 ND2 :: 113.264 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 P 0.49 C Shift Assignments>> C :: 178.818 CA :: 66.102 CB :: 31.963 CG :: 29.079 CD :: 51.173 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 :: 4.233 HB2 :: 2.583 HB3 :: 1.836 HG2 :: 2.175 HG3 :: 2.466 HD2 :: 3.221 HD3 :: 4.071 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.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 175.831 CA :: 59.885 CB :: 38.271 CD1 :: 132.689 CD2 :: 132.689 CE1 :: 117.590 CE2 :: 117.590 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.178 HA :: 3.092 HB2 :: 2.893 HB3 :: 2.452 HD1 :: 6.575 HD2 :: 6.575 HE1 :: 6.641 HE2 :: 6.641 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 :: 115.812 Ave N Shift Values>> N :: 120.79(4.69) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.21 F 0.14 N 0.11 E 0.11 D 0.06 I 0.04 M 0.02 L 0.01 HN Overlap>> 1.Q10 1.Q10 C Shift Assignments>> C :: 179.196 CA :: 56.114 CB :: 38.011 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 :: 8.339 HA :: 4.186 HB2 :: 2.946 HB3 :: 2.811 HD21 :: 6.919 HD22 :: 8.364 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 :: 118.105 ND2 :: 112.374 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.35 R 0.04 C Shift Assignments>> C :: 179.513 CA :: 57.673 CB :: 41.563 CG :: 26.874 CD1 :: 25.037 CD2 :: 23.150 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 :: 8.240 HA :: 4.091 HB2 :: 1.762 HB3 :: 1.468 HG :: 1.712 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 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 :: 121.082 Ave N Shift Values>> N :: 121.98(4.07) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.32 C 0.29 C Shift Assignments>> C :: 178.185 CA :: 60.209 CB :: 38.660 CD1 :: 132.554 CD2 :: 132.554 CE1 :: 131.267 CE2 :: 131.267 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 :: 7.640 HA :: 4.298 HB2 :: 3.204 HB3 :: 3.041 HD1 :: 7.117 HD2 :: 7.117 HE1 :: 7.371 HE2 :: 7.371 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 :: 123.055 Ave N Shift Values>> N :: 120.69(4.18) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.31 R 0.04 A 0.01 G 0.01 HN Overlap>> 1.Y24 1.R106 1.Y24 1.R106 C Shift Assignments>> C :: 178.937 CA :: 56.757 CB :: 42.142 CG :: 26.177 CD1 :: 25.179 CD2 :: 22.679 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 :: 7.969 HA :: 3.624 HB2 :: 1.539 HB3 :: 1.327 HG :: 1.263 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 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 :: 120.216 Ave N Shift Values>> N :: 121.98(4.07) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.252 CA :: 59.559 CB :: 63.811 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.712 HA :: 4.300 HB2 :: 3.990 HB3 :: 3.907 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 :: 112.532 Ave N Shift Values>> N :: 116.3(3.95) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.400 CA :: 45.795 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.691 HA2 :: 3.924 HA3 :: 3.969 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.487 Ave N Shift Values>> N :: 109.91(4.29) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.2 K 0.17 C 0.1 F 0.08 R 0.08 Y 0.06 N 0.04 C Shift Assignments>> C :: 176.822 CA :: 54.981 CB :: 41.703 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 :: 8.080 HA :: 4.583 HB2 :: 2.503 HB3 :: 2.653 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 :: 120.988 Ave N Shift Values>> N :: 120.73(4.2) 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 :: 175.031 CA :: 59.602 CB :: 63.664 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.205 HA :: 4.323 HB2 :: 3.906 HB3 :: 3.906 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 :: 115.663 Ave N Shift Values>> N :: 116.3(3.95) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 177.864 CA :: 55.716 CB :: 41.919 CG :: 26.844 CD1 :: 25.036 CD2 :: 23.390 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 :: 8.093 HA :: 4.336 HB2 :: 1.706 HB3 :: 1.633 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.374 Ave N Shift Values>> N :: 121.98(4.07) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.13 G 0.05 HN Overlap>> 1.Y24 1.Y24 1.L100 1.L100 C Shift Assignments>> C :: 176.550 CA :: 56.920 CB :: 30.570 CG :: 27.330 CD :: 43.230 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 :: 8.010 HA :: 4.266 HB2 :: 1.877 HB3 :: 1.824 HG2 :: 1.622 HG3 :: 1.622 HD2 :: 3.197 HD3 :: 3.197 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 :: 120.209 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.C107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 I 0.14 C 0.13 K 0.11 W 0.11 Q 0.1 E 0.08 H 0.07 L 0.05 C Shift Assignments>> C :: 174.657 CA :: 58.940 CB :: 27.820 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.465 HB2 :: 2.957 HB3 :: 2.957 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 :: 118.935 Ave N Shift Values>> N :: 119.95(4.79) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 177.133 CA :: 55.567 CB :: 42.295 CG :: 26.874 CD1 :: 25.096 CD2 :: 23.499 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 :: 8.201 HA :: 4.348 HB2 :: 1.701 HB3 :: 1.701 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.877 HD22 :: 0.877 HD23 :: 0.877 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.760 Ave N Shift Values>> N :: 121.98(4.07) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.11 M 0.1 R 0.03 C Shift Assignments>> C :: 175.510 CA :: 55.463 CB :: 29.600 CG :: 33.895 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 :: 4.346 HB2 :: 2.093 HB3 :: 1.990 HG2 :: 2.378 HG3 :: 2.378 HE21 :: 7.532 HE22 :: 6.871 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 :: 120.562 NE2 :: 112.530 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.32 R 0.14 M 0.04 C Shift Assignments>> C :: 174.455 CA :: 54.298 CB :: 32.500 CG :: 24.524 CD :: 29.210 CE :: 41.767 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 :: 8.326 HA :: 4.588 HB2 :: 1.738 HB3 :: 1.864 HG2 :: 1.492 HG3 :: 1.492 HD2 :: 1.725 HD3 :: 1.725 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 :: 123.904 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.397 CA :: 63.271 CB :: 32.148 CG :: 27.332 CD :: 50.606 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 :: 4.415 HB2 :: 2.254 HB3 :: 1.874 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 3.666 HD3 :: 3.791 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.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.18 C 0.16 Y 0.08 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 175.068 CA :: 53.146 CB :: 38.789 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 :: 8.514 HA :: 4.707 HB2 :: 2.760 HB3 :: 2.853 HD21 :: 7.619 HD22 :: 6.932 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 :: 118.721 ND2 :: 113.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.28 R 0.07 A 0.02 G 0.01 C Shift Assignments>> C :: 177.549 CA :: 55.302 CB :: 42.300 CG :: 26.945 CD1 :: 25.005 CD2 :: 23.321 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 :: 8.307 HA :: 4.440 HB2 :: 1.636 HB3 :: 1.636 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.834 HD22 :: 0.834 HD23 :: 0.834 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.039 Ave N Shift Values>> N :: 121.98(4.07) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.T117 1.T117 C Shift Assignments>> C :: 174.542 CA :: 61.741 CB :: 69.928 CG2 :: 21.541 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 :: 8.166 HA :: 4.411 HB :: 4.281 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 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 :: 114.208 Ave N Shift Values>> N :: 115.7(5.05) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I85 1.I85 C Shift Assignments>> C :: 174.209 CA :: 58.407 CB :: 63.860 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.285 HA :: 4.478 HB2 :: 3.852 HB3 :: 3.852 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.585 Ave N Shift Values>> N :: 116.3(3.95) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.2 K 0.14 C 0.1 F 0.08 N 0.07 Y 0.06 R 0.04 C Shift Assignments>> C :: 176.426 CA :: 54.472 CB :: 41.343 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 :: 8.417 HA :: 4.698 HB2 :: 2.729 HB3 :: 2.659 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 :: 122.647 Ave N Shift Values>> N :: 120.73(4.2) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 HN Overlap>> 1.T114 1.T114 C Shift Assignments>> C :: 174.711 CA :: 61.991 CB :: 69.697 CG2 :: 21.683 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 :: 8.097 HA :: 4.313 HB :: 4.260 HG21 :: 1.204 HG22 :: 1.204 HG23 :: 1.204 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 :: 114.274 Ave N Shift Values>> N :: 115.7(5.05) 1.K118 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 0.03 C Shift Assignments>> C :: 176.292 CA :: 56.510 CB :: 32.875 CG :: 24.654 CD :: 28.936 CE :: 42.092 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 :: 8.303 HA :: 4.316 HB2 :: 1.783 HB3 :: 1.849 HG2 :: 1.431 HG3 :: 1.431 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.958 HE3 :: 2.958 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 :: 123.547 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.08 R 0.03 C Shift Assignments>> C :: 175.904 CA :: 54.666 CB :: 41.124 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 :: 8.345 HA :: 4.555 HB2 :: 2.608 HB3 :: 2.697 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 :: 121.149 Ave N Shift Values>> N :: 120.73(4.2) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.16 M 0.03 G 0.01 C Shift Assignments>> C :: 176.026 CA :: 56.120 CB :: 33.257 CG :: 24.283 CD :: 28.936 CE :: 42.163 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 :: 8.079 HA :: 4.281 HB2 :: 1.746 HB3 :: 1.691 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 :: 120.611 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.12 K 0.06 I 0.04 Q 0.03 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 175.065 CA :: 56.599 CB :: 30.544 CG :: 36.397 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 :: 8.337 HA :: 4.231 HB2 :: 1.863 HB3 :: 2.005 HG2 :: 2.304 HG3 :: 2.158 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 :: 122.162 Ave N Shift Values>> N :: 120.68(3.68) 1.Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 180.216 CA :: 59.115 CB :: 39.493 CD1 :: 133.369 CD2 :: 133.369 CE1 :: 117.971 CE2 :: 117.971 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 :: 7.650 HA :: 4.363 HB2 :: 3.071 HB3 :: 2.886 HD1 :: 7.100 HD2 :: 7.100 HE1 :: 6.820 HE2 :: 6.820 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 :: 125.164 Ave N Shift Values>> N :: 120.79(4.69) ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 1 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 121 #Suspicious: 1 C Shift Results: #Consistent: 522 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 830 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 1 N Shift Results: #Consistent: 118 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V60 HG21 = -1.173(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.9537e-12 1.V60 HG22 = -1.173(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.9537e-12 1.V60 HG23 = -1.173(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.9537e-12 1.R86 HA = 2.204(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.6601e-06 1.R86 HB3 = -0.178(A), Expected = 1.78, Std = 0.2800, ChiSquare = 2.6934e-12 1.R86 SRO Rule Break>> HA > HD2 : 0.991153846153846