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 0.7 L 0.12 C 0.08 R 0.06 C Shift Assignments>> C :: 173.405 CA :: 45.070 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.892 HA3 :: 3.892 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.K8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.2 M 0.02 C Shift Assignments>> C :: 175.501 CA :: 55.765 CB :: 33.046 CG :: 23.957 CD :: 28.234 CE :: 41.988 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 :: 7.913 HA :: 4.031 HB2 :: 1.409 HB3 :: 1.306 HG2 :: 0.556 HG3 :: 0.556 HD2 :: 1.181 HD3 :: 0.966 HE2 :: 2.131(S) HE3 :: 2.323 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 :: 121.849 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.31 C Shift Assignments>> C :: 175.680 CA :: 61.571 CB :: 32.224 CG1 :: 20.515 CG2 :: 21.123 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 :: 8.175 HA :: 4.082 HB :: 1.895 HG11 :: 0.845 HG12 :: 0.845 HG13 :: 0.845 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.536 Ave N Shift Values>> N :: 121.02(4.96) 1.W10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.47 H 0.02 C Shift Assignments>> C :: 174.859 CA :: 57.088 CB :: 31.730 CD1 :: 127.495 CE3 :: 121.287 CZ2 :: 113.803 CZ3 :: 121.117 CH2 :: 123.520 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 :: 8.125 HA :: 4.667 HB2 :: 2.965 HB3 :: 3.055 HD1 :: 7.255 HE1 :: 10.270 HE3 :: 7.975 HZ2 :: 7.075 HZ3 :: 7.148 HH2 :: 6.789 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 :: 127.817 NE1 :: 128.999 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.1 M 0.04 A 0.03 G 0.02 HN Overlap>> 1.D47 1.D47 C Shift Assignments>> C :: 172.968 CA :: 53.330 CB :: 33.827 CG :: 23.518 CD :: 29.011 CE :: 42.282 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 :: 9.090 HA :: 4.856 HB2 :: 1.687 HB3 :: 1.793 HG2 :: 1.325 HG3 :: 1.566 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 3.013 HE3 :: 3.013 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.688 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.287 CA :: 63.812 CB :: 31.278 CG :: 28.810 CD :: 50.853 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 :: 3.894 HB2 :: 2.265 HB3 :: 1.854 HG2 :: 1.663 HG3 :: 2.265 HD2 :: 3.715 HD3 :: 3.595 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.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.798 CA :: 44.559 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.494 HA2 :: 4.431 HA3 :: 3.746 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.764 Ave N Shift Values>> N :: 109.91(4.29) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.19 D 0.17 C 0.1 F 0.1 Y 0.08 R 0.07 N 0.03 C Shift Assignments>> C :: 176.143 CA :: 55.553 CB :: 41.600 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 :: 8.005 HA :: 4.665 HB2 :: 3.105 HB3 :: 2.985 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 :: 121.257 Ave N Shift Values>> N :: 120.73(4.2) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.36 M 0.15 I 0.03 K 0.02 HN Overlap>> 1.K44 1.K44 C Shift Assignments>> C :: 175.679 CA :: 55.783 CB :: 31.295 CG :: 36.953 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 :: 8.645 HA :: 4.852 HB2 :: 2.115 HB3 :: 2.026 HG2 :: 2.445 HG3 :: 2.315 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 :: 121.409 Ave N Shift Values>> N :: 120.68(3.68) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 K 0.17 C 0.16 Q 0.1 R 0.1 W 0.08 H 0.08 E 0.06 V 0.02 C Shift Assignments>> C :: 172.636 CA :: 56.418 CB :: 32.553 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.735 HA :: 5.086 HB2 :: 2.776 HB3 :: 2.543 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 :: 116.207 Ave N Shift Values>> N :: 119.95(4.79) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.37 G 0.01 C Shift Assignments>> C :: 174.823 CA :: 57.547 CB :: 42.053 CD1 :: 130.964 CD2 :: 130.964 CE1 :: 131.879 CE2 :: 131.879 CZ :: 130.157 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.125 HA :: 5.235 HB2 :: 2.805 HB3 :: 2.698 HD1 :: 6.996 HD2 :: 6.996 HE1 :: 7.435 HE2 :: 7.435 HZ :: 7.387 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 :: 116.836 Ave N Shift Values>> N :: 120.69(4.18) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.25 P 0.14 A 0.08 K 0.06 M 0.04 R 0.01 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> C :: 175.841 CA :: 50.147 CB :: 23.798 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.373 HA :: 5.552 HB1 :: 1.169 HB2 :: 1.169 HB3 :: 1.169 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.751 Ave N Shift Values>> N :: 123.23(3.7) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.27 G 0.15 A 0.08 R 0.05 C Shift Assignments>> C :: 175.598 CA :: 55.165 CB :: 43.656 CG :: 26.360 CD1 :: 22.148 CD2 :: 25.393 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 :: 7.487 HA :: 3.514 HB2 :: 1.630 HB3 :: 0.745 HG :: 0.880 HD11 :: 0.020 HD12 :: 0.020 HD13 :: 0.020 HD21 :: 0.625 HD22 :: 0.625 HD23 :: 0.625 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 :: 123.529 Ave N Shift Values>> N :: 121.98(4.07) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.46 C Shift Assignments>> C :: 176.593 CA :: 55.201 CB :: 37.899 CD1 :: 131.500 CD2 :: 131.500 CE1 :: 118.935 CE2 :: 118.935 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 :: 9.405 HA :: 4.939 HB2 :: 3.475 HB3 :: 2.575 HD1 :: 6.782 HD2 :: 6.782 HE1 :: 6.375 HE2 :: 6.375 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 :: 132.207 Ave N Shift Values>> N :: 120.79(4.69) 1.W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.41 H 0.03 C Shift Assignments>> C :: 177.283 CA :: 58.695 CB :: 28.111 CD1 :: 127.464 CE3 :: 120.191 CZ2 :: 114.888 CZ3 :: 122.145 CH2 :: 124.828 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 :: 8.475 HA :: 4.087 HB2 :: 3.119 HB3 :: 3.313 HD1 :: 7.225 HE1 :: 10.085 HE3 :: 7.200 HZ2 :: 7.479 HZ3 :: 7.036 HH2 :: 7.148 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 :: 128.228 NE1 :: 130.527 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.32 E 0.3 I 0.16 K 0.1 Q 0.06 M 0.02 C Shift Assignments>> C :: 176.342 CA :: 59.753 CB :: 29.468 CG :: 35.637 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 :: 4.195(A) HA :: 2.895 HB2 :: 0.985(S) HB3 :: -0.085(A) HG2 :: 1.074(S) HG3 :: 1.015(A) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.591 Ave N Shift Values>> N :: 120.68(3.68) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.18 L 0.16 C 0.12 K 0.06 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 176.047 CA :: 51.970 CB :: 41.353 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 :: 6.695 HA :: 4.554 HB2 :: 2.834 HB3 :: 2.370 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 :: 112.180 Ave N Shift Values>> N :: 120.73(4.2) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.23 Y 0.15 F 0.1 D 0.09 E 0.07 M 0.02 L 0.02 I 0.01 C Shift Assignments>> C :: 173.702 CA :: 54.794 CB :: 37.940 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 :: 8.248 HA :: 4.055 HB2 :: 3.060 HB3 :: 2.533 HD21 :: 7.392 HD22 :: 6.624 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 :: 116.693 ND2 :: 111.938 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.36 R 0.22 G 0.02 M 0.01 C Shift Assignments>> C :: 174.726 CA :: 54.565 CB :: 35.143 CG :: 25.109 CD :: 29.157 CE :: 42.464 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 :: 7.604 HA :: 4.502 HB2 :: 1.675 HB3 :: 1.404 HG2 :: 1.155 HG3 :: 1.331 HD2 :: 1.593 HD3 :: 1.593 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.646 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 176.228 CA :: 58.236 CB :: 41.148 CD1 :: 131.336 CD2 :: 131.336 CE1 :: 132.220 CE2 :: 132.220 CZ :: 130.033 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 :: 8.361 HA :: 5.005 HB2 :: 2.805 HB3 :: 2.515 HD1 :: 6.984 HD2 :: 6.984 HE1 :: 7.274 HE2 :: 7.274 HZ :: 7.335 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 :: 118.446 Ave N Shift Values>> N :: 120.69(4.18) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 C 0.34 G 0.29 C Shift Assignments>> C :: 175.380 CA :: 56.594 CB :: 43.856 CD1 :: 133.367 CD2 :: 133.367 CE1 :: 118.423 CE2 :: 118.423 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 :: 8.851 HA :: 5.045 HB2 :: 3.512 HB3 :: 2.875 HD1 :: 7.094 HD2 :: 7.094 HE1 :: 7.212 HE2 :: 7.212 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 :: 118.823 Ave N Shift Values>> N :: 120.79(4.69) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.34 K 0.19 G 0.03 C Shift Assignments>> C :: 175.789 CA :: 57.142 CB :: 30.291 CG :: 27.905 CD :: 42.875 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.026 HA :: 4.202 HB2 :: 1.784 HB3 :: 1.784 HG2 :: 1.578 HG3 :: 1.578 HD2 :: 2.938 HD3 :: 3.045 HE :: 7.506 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 :: 122.262 NE :: 84.466 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.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.19 A 0.17 M 0.09 K 0.06 C Shift Assignments>> C :: 175.247 CA :: 51.188 CB :: 23.153 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.157 HA :: 5.098 HB1 :: 0.684 HB2 :: 0.684 HB3 :: 0.684 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.768 Ave N Shift Values>> N :: 123.23(3.7) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.2 E 0.1 C Shift Assignments>> C :: 176.265 CA :: 53.948 CB :: 33.622 CG :: 36.642 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 :: 8.167 HA :: 5.085 HB2 :: 1.736 HB3 :: 1.736 HG2 :: 2.016 HG3 :: 2.016 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 :: 118.036 Ave N Shift Values>> N :: 120.68(3.68) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 175.369 CA :: 64.571 CB :: 31.678 CG1 :: 21.691 CG2 :: 22.331 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 :: 8.961 HA :: 3.545 HB :: 2.256 HG11 :: 0.529 HG12 :: 0.529 HG13 :: 0.529 HG21 :: 0.648 HG22 :: 0.648 HG23 :: 0.648 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.010 Ave N Shift Values>> N :: 121.02(4.96) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.25 M 0.17 Q 0.16 K 0.1 I 0.01 C Shift Assignments>> C :: 175.695 CA :: 56.841 CB :: 30.661 CG :: 34.979 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 :: 9.483 HA :: 4.627 HB2 :: 1.935 HB3 :: 1.804 HG2 :: 2.220 HG3 :: 2.115 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 :: 130.912 Ave N Shift Values>> N :: 120.68(3.68) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 L 0.29 M 0.14 C 0.12 K 0.02 C Shift Assignments>> C :: 174.956 CA :: 51.777 CB :: 22.189 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.838 HA :: 4.456 HB1 :: 1.292 HB2 :: 1.292 HB3 :: 1.292 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.714 Ave N Shift Values>> N :: 123.23(3.7) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.23 R 0.1 G 0.02 A 0.01 C Shift Assignments>> C :: 176.325 CA :: 53.559 CB :: 42.381 CG :: 27.931 CD1 :: 25.075 CD2 :: 23.956 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 :: 8.954 HA :: 4.702 HB2 :: 1.706 HB3 :: 1.706 HG :: 1.613 HD11 :: 0.975 HD12 :: 0.975 HD13 :: 0.975 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 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 :: 122.418 Ave N Shift Values>> N :: 121.98(4.07) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 H 0.31 W 0.2 C Shift Assignments>> C :: 178.300 CA :: 57.706 CB :: 32.594 CD2 :: 117.912 CE1 :: 138.123 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 :: 8.022 HA :: 4.544 HB2 :: 3.083 HB3 :: 3.083 HD2 :: 6.990 HE1 :: 7.705 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 :: 123.729 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.434 CA :: 59.895 CB :: 63.665 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.111 HA :: 4.339 HB2 :: 4.047 HB3 :: 4.184 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.788 Ave N Shift Values>> N :: 116.3(3.95) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 174.441 CA :: 46.006 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.136 HA2 :: 4.257 HA3 :: 3.981 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.557 Ave N Shift Values>> N :: 109.91(4.29) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.42 A 0.09 C Shift Assignments>> C :: 177.404 CA :: 55.889 CB :: 34.033 CG :: 32.018 CE :: 16.749 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 :: 8.180 HA :: 4.789 HB2 :: 2.154 HB3 :: 2.075 HG2 :: 2.453 HG3 :: 2.670 HE1 :: 2.105 HE2 :: 2.105 HE3 :: 2.105 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 :: 113.829 Ave N Shift Values>> N :: 120.1(3.88) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 T 0.43 C Shift Assignments>> C :: 172.981 CA :: 59.559 CB :: 73.120 CG2 :: 22.312 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 :: 7.174 HA :: 5.182 HB :: 4.049 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.160 Ave N Shift Values>> N :: 115.7(5.05) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 L 0.29 C 0.19 M 0.09 K 0.02 C Shift Assignments>> C :: 175.635 CA :: 50.417 CB :: 22.600 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.245 HA :: 4.932 HB1 :: 1.103 HB2 :: 1.103 HB3 :: 1.103 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.138 Ave N Shift Values>> N :: 123.23(3.7) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.410 CA :: 62.083 CB :: 32.776 CG1 :: 21.164 CG2 :: 21.491 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 :: 8.773 HA :: 4.789 HB :: 1.835 HG11 :: 0.929 HG12 :: 0.929 HG13 :: 0.929 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 120.320 Ave N Shift Values>> N :: 121.02(4.96) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.15 A 0.05 C Shift Assignments>> C :: 172.532 CA :: 57.812 CB :: 34.280 CG1 :: 21.061 CG2 :: 18.283 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 :: 9.224 HA :: 5.013 HB :: 1.387 HG11 :: 0.406 HG12 :: 0.406 HG13 :: 0.406 HG21 :: 0.160 HG22 :: 0.160 HG23 :: 0.160 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.151 Ave N Shift Values>> N :: 121.02(4.96) 1.K44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.08 M 0.03 A 0.01 G 0.01 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 177.419 CA :: 53.612 CB :: 35.143 CG :: 24.122 CD :: 29.221 CE :: 41.888 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 :: 8.645 HA :: 4.627 HB2 :: 1.500 HB3 :: 1.122 HG2 :: 0.308(S) HG3 :: 0.502 HD2 :: 1.407 HD3 :: 1.324 HE2 :: 2.725 HE3 :: 2.650 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 :: 121.425 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 177.585 CA :: 59.841 CB :: 38.598 CD1 :: 131.941 CD2 :: 131.941 CE1 :: 131.398 CE2 :: 131.398 CZ :: 128.839 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 :: 8.823 HA :: 4.505 HB2 :: 3.115 HB3 :: 3.215 HD1 :: 7.216 HD2 :: 7.216 HE1 :: 7.389 HE2 :: 7.389 HZ :: 6.955 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 :: 128.232 Ave N Shift Values>> N :: 120.69(4.18) 1.T46 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 :: 176.410 CA :: 65.930 CB :: 68.743 CG2 :: 22.312 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 :: 8.281 HA :: 3.738 HB :: 3.876 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 :: 120.729 Ave N Shift Values>> N :: 115.7(5.05) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.17 D 0.1 L 0.09 I 0.06 K 0.05 N 0.02 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 176.844 CA :: 57.283 CB :: 40.037 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 :: 9.166 HA :: 4.300 HB2 :: 2.095 HB3 :: 2.134 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 :: 120.635 Ave N Shift Values>> N :: 120.73(4.2) 1.Y48 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 :: 177.343 CA :: 57.777 CB :: 39.914 CD1 :: 132.638 CD2 :: 132.638 CE1 :: 118.113 CE2 :: 118.113 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 :: 7.676 HA :: 4.605 HB2 :: 3.125 HB3 :: 2.706 HD1 :: 6.814 HD2 :: 6.814 HE1 :: 6.420 HE2 :: 6.420 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 :: 114.763 Ave N Shift Values>> N :: 120.79(4.69) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 172.707 CA :: 46.165 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.065 HA2 :: 4.023 HA3 :: 3.571 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.679 Ave N Shift Values>> N :: 109.91(4.29) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.21 D 0.08 Y 0.06 F 0.04 E 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 173.696 CA :: 52.747 CB :: 37.710 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 :: 8.836 HA :: 4.777 HB2 :: 2.794 HB3 :: 2.834 HD21 :: 8.639 HD22 :: 5.734 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.795 ND2 :: 114.892 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y51 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 :: 176.871 CA :: 56.789 CB :: 40.037 CD1 :: 133.119 CD2 :: 133.119 CE1 :: 117.958 CE2 :: 117.958 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 :: 8.726 HA :: 5.696 HB2 :: 2.864 HB3 :: 2.665 HD1 :: 7.012 HD2 :: 7.012 HE1 :: 6.755 HE2 :: 6.755 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 :: 120.703 Ave N Shift Values>> N :: 120.79(4.69) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.16 E 0.03 C Shift Assignments>> C :: 174.629 CA :: 54.070 CB :: 34.814 CG :: 35.516 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 :: 8.995 HA :: 4.981 HB2 :: 2.485 HB3 :: 1.754 HG2 :: 2.545 HG3 :: 2.814 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 :: 118.929 Ave N Shift Values>> N :: 120.68(3.68) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.38 M 0.1 I 0.04 K 0.03 C Shift Assignments>> C :: 176.301 CA :: 55.500 CB :: 30.537 CG :: 37.117 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 :: 8.995 HA :: 5.175 HB2 :: 1.975 HB3 :: 1.919 HG2 :: 2.145 HG3 :: 1.975 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 :: 122.819 Ave N Shift Values>> N :: 120.68(3.68) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.28 I 0.01 C Shift Assignments>> C :: 175.017 CA :: 59.647 CB :: 36.171 CG1 :: 22.395 CG2 :: 21.290 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 :: 9.375 HA :: 4.739 HB :: 1.993 HG11 :: 1.123 HG12 :: 1.123 HG13 :: 1.123 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.177 Ave N Shift Values>> N :: 121.02(4.96) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.27 R 0.11 G 0.03 A 0.02 C Shift Assignments>> C :: 179.440 CA :: 55.495 CB :: 42.628 CG :: 27.083 CD1 :: 25.433 CD2 :: 23.161 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 :: 8.744 HA :: 4.500 HB2 :: 1.706 HB3 :: 1.706 HG :: 1.765 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.898 HD22 :: 0.898 HD23 :: 0.898 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 :: 123.920 Ave N Shift Values>> N :: 121.98(4.07) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.4 R 0.11 K 0.01 C Shift Assignments>> C :: 178.810 CA :: 57.883 CB :: 41.330 CG :: 28.134 CD1 :: 25.420 CD2 :: 23.975 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 :: 8.324 HA :: 3.855 HB2 :: 1.643 HB3 :: 1.643 HG :: 1.393 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 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 :: 123.383 Ave N Shift Values>> N :: 121.98(4.07) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.944 CA :: 59.859 CB :: 62.509 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.886 HA :: 4.364 HB2 :: 4.110 HB3 :: 3.845 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.927 Ave N Shift Values>> N :: 116.3(3.95) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.26 C 0.13 L 0.06 Y 0.05 F 0.05 C Shift Assignments>> C :: 172.402 CA :: 52.535 CB :: 39.585 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 :: 8.085 HA :: 5.275 HB2 :: 3.365 HB3 :: 2.885 HD21 :: 8.122 HD22 :: 7.257 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 :: 120.812 ND2 :: 115.088 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 174.980 CA :: 60.659 CB :: 39.996 CG1 :: 26.654 CG2 :: 17.919 CD1 :: 12.771 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 :: 7.291 HA :: 5.125 HB :: 1.425 HG12 :: 0.706 HG13 :: 1.282 HG21 :: 0.144 HG22 :: 0.144 HG23 :: 0.144 HD11 :: -0.296(S) HD12 :: -0.296(S) HD13 :: -0.296(S) 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 :: 115.444 Ave N Shift Values>> N :: 121.6(4.72) 1.K60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.07 M 0.02 A 0.01 HN Overlap>> 1.A18 1.A18 C Shift Assignments>> C :: 173.381 CA :: 52.977 CB :: 34.814 CG :: 24.330 CD :: 29.201 CE :: 41.650 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 :: 9.366 HA :: 5.300 HB2 :: 1.788 HB3 :: 1.648 HG2 :: 1.104 HG3 :: 1.192 HD2 :: 1.195 HD3 :: 1.093 HE2 :: 2.285 HE3 :: 1.933(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 :: 122.819 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P61 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 :: 176.256 CA :: 62.754 CB :: 32.594 CG :: 27.788 CD :: 50.935 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.027 HB2 :: 2.405 HB3 :: 1.964 HG2 :: 2.084 HG3 :: 1.954 HD2 :: 3.759 HD3 :: 4.083 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.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.192 CA :: 62.895 CB :: 32.059 CG1 :: 21.196 CG2 :: 20.401 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 :: 8.525 HA :: 3.969 HB :: 1.970 HG11 :: 0.765 HG12 :: 0.765 HG13 :: 0.765 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 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 :: 117.807 Ave N Shift Values>> N :: 121.02(4.96) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.24 E 0.1 M 0.09 R 0.04 C Shift Assignments>> C :: 175.716 CA :: 55.535 CB :: 29.468 CG :: 33.678 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 :: 7.815 HA :: 4.415 HB2 :: 1.885 HB3 :: 2.025 HG2 :: 2.245 HG3 :: 2.245 HE21 :: 7.499 HE22 :: 6.814 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 :: 122.188 NE2 :: 112.312 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.616 CA :: 62.277 CB :: 69.565 CG2 :: 21.737 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 :: 8.185 HA :: 4.154 HB :: 4.106 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 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 :: 116.169 Ave N Shift Values>> N :: 115.7(5.05) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 M 0.08 Q 0.05 I 0.05 C Shift Assignments>> C :: 176.216 CA :: 56.647 CB :: 30.044 CG :: 36.230 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 :: 8.460 HA :: 4.174 HB2 :: 1.835 HB3 :: 1.766 HG2 :: 2.185 HG3 :: 2.185 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.014 Ave N Shift Values>> N :: 120.68(3.68) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.02 C Shift Assignments>> C :: 177.258 CA :: 52.730 CB :: 19.064 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.245 HA :: 4.205 HB1 :: 1.308 HB2 :: 1.308 HB3 :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.251 Ave N Shift Values>> N :: 123.23(3.7) 1.W67 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 :: 175.889 CA :: 57.106 CB :: 29.427 CD1 :: 126.999 CE3 :: 120.864 CZ2 :: 114.400 CH2 :: 124.513 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 :: 7.875 HA :: 4.609 HB2 :: 3.215 HB3 :: 3.215 HD1 :: 7.173 HE1 :: 10.106 HE3 :: 7.511 HZ2 :: 7.372 HH2 :: 7.095 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 :: 119.568 NE1 :: 129.486 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.368 CA :: 62.189 CB :: 32.981 CG1 :: 20.610 CG2 :: 21.009 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 :: 7.815 HA :: 3.917 HB :: 1.885 HG11 :: 0.761 HG12 :: 0.761 HG13 :: 0.761 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 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 :: 122.485 Ave N Shift Values>> N :: 121.02(4.96) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.06 C Shift Assignments>> C :: 175.465 CA :: 55.841 CB :: 30.949 CG :: 27.001 CD :: 43.302 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 :: 8.084 HA :: 4.107 HB2 :: 1.695 HB3 :: 1.640 HG2 :: 1.518 HG3 :: 1.475 HD2 :: 3.106 HD3 :: 3.106 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.540 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.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.16 C 0.12 K 0.06 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 175.319 CA :: 51.882 CB :: 41.312 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 :: 8.365 HA :: 4.780 HB2 :: 2.565 HB3 :: 2.764 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 :: 123.498 Ave N Shift Values>> N :: 120.73(4.2) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.091 CA :: 63.777 CB :: 32.118 CG :: 27.131 CD :: 50.935 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.355 HB2 :: 2.215 HB3 :: 1.906 HG2 :: 1.925 HG3 :: 1.925 HD2 :: 3.779 HD3 :: 3.779 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.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.19 C 0.16 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.312 CA :: 53.471 CB :: 38.869 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 :: 8.521 HA :: 4.764 HB2 :: 2.868 HB3 :: 2.750 HD21 :: 7.805 HD22 :: 6.952 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 :: 117.256 ND2 :: 114.316 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.532 CA :: 58.642 CB :: 64.137 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.937 HA :: 4.429 HB2 :: 3.876 HB3 :: 3.876 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 :: 115.503 Ave N Shift Values>> N :: 116.3(3.95) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.781 CA :: 44.682 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.206 HA2 :: 4.071 HA3 :: 4.123 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.659 Ave N Shift Values>> N :: 109.91(4.29) 1.P75 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 :: 177.407 CA :: 63.212 CB :: 32.182 CG :: 27.131 CD :: 49.766 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 :: 4.446 HB2 :: 2.265 HB3 :: 1.955 HG2 :: 1.975 HG3 :: 1.975 HD2 :: 3.581 HD3 :: 3.581 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.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.677 CA :: 58.359 CB :: 64.013 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.504 HA :: 4.489 HB2 :: 3.869 HB3 :: 3.869 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 :: 116.388 Ave N Shift Values>> N :: 116.3(3.95) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.914 CA :: 58.342 CB :: 64.013 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.312 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 :: 117.873 Ave N Shift Values>> N :: 116.3(3.95) 1.G78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 73 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 70 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 78 #Suspicious: 0 C Shift Results: #Consistent: 321 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 473 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 3 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K8 HE2 = 2.131(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.4694e-05 1.E22 H = 4.195(A), Expected = 8.34, Std = 0.6100, ChiSquare = 1.0825e-11 1.E22 HB2 = 0.985(S), Expected = 2.04, Std = 0.2200, ChiSquare = 1.6231e-06 1.E22 HB3 = -0.085(A), Expected = 2.04, Std = 0.2300, ChiSquare = 2.4851e-20 1.E22 HG2 = 1.074(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.9634e-09 1.E22 HG3 = 1.015(A), Expected = 2.31, Std = 0.2100, ChiSquare = 6.9745e-10 1.K44 HG2 = 0.308(S), Expected = 1.38, Std = 0.2700, ChiSquare = 7.1761e-05 1.I59 HD11 = -0.296(S), Expected = 0.70, Std = 0.3000, ChiSquare = 9.0017e-04 1.I59 HD12 = -0.296(S), Expected = 0.70, Std = 0.3000, ChiSquare = 9.0017e-04 1.I59 HD13 = -0.296(S), Expected = 0.70, Std = 0.3000, ChiSquare = 9.0017e-04 1.K60 HE3 = 1.933(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.1962e-07