Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.42 M 0.38 A 0.17 C Shift Assignments>> CE :: 17.399 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HE1 :: 2.071 HE2 :: 2.071 HE3 :: 2.071 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.63 C 0.36 C Shift Assignments>> CA :: 60.660 CB :: 40.211 CG1 :: 27.509 CG2 :: 17.513 CD1 :: 13.053 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 4.331 HB :: 1.741 HG12 :: 1.155 HG13 :: 1.528 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.22 G 0.11 R 0.1 C Shift Assignments>> CA :: 54.166 CB :: 43.538 CG :: 27.654 CD1 :: 24.912 CD2 :: 25.320 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.492 HA :: 4.855 HB2 :: 1.390 HB3 :: 1.694 HG :: 1.510 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.374 Ave N Shift Values>> N :: 121.86(3.9) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.3 M 0.26 Q 0.01 C Shift Assignments>> CA :: 55.454 CB :: 31.966 CG :: 36.533 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.841 HA :: 4.554 HB2 :: 1.960 HB3 :: 2.031 HG2 :: 2.158 HG3 :: 2.181 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.696 Ave N Shift Values>> N :: 120.67(3.48) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.01 C Shift Assignments>> CA :: 51.983 CB :: 19.664 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.411 HA :: 4.597 HB1 :: 1.261 HB2 :: 1.261 HB3 :: 1.261 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.862 Ave N Shift Values>> N :: 123.23(3.54) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.35 C 0.23 HN Overlap>> 1.S84 1.S84 C Shift Assignments>> CA :: 54.816 CB :: 30.466 CD2 :: 119.626 CE1 :: 136.851 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.330 HA :: 4.718 HB2 :: 3.128 HB3 :: 2.988 HD2 :: 7.054 HE1 :: 8.295 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.574 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.R86 1.R86 C Shift Assignments>> CA :: 57.849 CB :: 38.899 CD1 :: 133.194 CD2 :: 133.210 CE1 :: 118.307 CE2 :: 118.269 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.255 HA :: 4.626 HB2 :: 3.054 HB3 :: 2.911 HD1 :: 7.088 HD2 :: 7.089 HE1 :: 6.781 HE2 :: 6.783 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.716 Ave N Shift Values>> N :: 120.52(4.2) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.557 CB :: 69.948 CG2 :: 21.374 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.023 HA :: 4.312 HB :: 4.135 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.692 Ave N Shift Values>> N :: 115.42(4.75) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.25 C 0.08 L 0.08 Y 0.07 C Shift Assignments>> CA :: 53.245 CB :: 39.323 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.324 HA :: 4.929 HB2 :: 2.865 HB3 :: 2.767 HD21 :: 6.978 HD22 :: 7.607 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.924 ND2 :: 114.513 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.07 G 0.03 A 0.02 C Shift Assignments>> CA :: 55.509 CB :: 42.755 CG :: 27.174 CD1 :: 25.190 CD2 :: 23.083 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.230 HA :: 4.368 HB2 :: 1.656 HB3 :: 1.720 HG :: 1.677 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.152 Ave N Shift Values>> N :: 121.86(3.9) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.35 R 0.09 C Shift Assignments>> CA :: 55.213 CB :: 33.503 CG :: 24.528 CD :: 29.002 CE :: 42.101 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.761 HA :: 4.447 HB2 :: 1.929 HB3 :: 1.747 HG2 :: 1.401 HG3 :: 1.434 HD2 :: 1.717 HD3 :: 1.715 HE2 :: 3.009 HE3 :: 3.008 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.906 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.16 Y 0.15 D 0.12 E 0.04 L 0.04 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.556 CB :: 38.200 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.172 HA :: 4.607 HB2 :: 3.903 HB3 :: 2.680 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.580 Ave N Shift Values>> N :: 120.17(4.64) 1.R13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 R 0.38 G 0.12 K 0.04 C Shift Assignments>> CA :: 57.229 CB :: 32.304 CG :: 27.375 CD :: 43.884 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 11.429(S) HA :: 4.368 HB2 :: 1.871 HB3 :: 1.796 HG2 :: 1.688 HG3 :: 1.692 HD2 :: 3.249 HD3 :: 3.159 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.796 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.23 D 0.19 K 0.11 C 0.04 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> CA :: 54.580 CB :: 42.811 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.349 HA :: 4.827 HB2 :: 3.178 HB3 :: 2.964 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.748 Ave N Shift Values>> N :: 120.17(4.64) 1.S15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.796 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.160 Ave N Shift Values>> N :: 116.28(3.52) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.21 R 0.08 C 0.04 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.669 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.912 HA2 :: 3.930 HA3 :: 4.068 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.928 Ave N Shift Values>> N :: 109.67(3.87) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> CA :: 59.955 CB :: 35.057 CG1 :: 22.144 CG2 :: 19.232 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.114 HA :: 4.546 HB :: 1.905 HG11 :: 0.820 HG12 :: 0.820 HG13 :: 0.820 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.677 Ave N Shift Values>> N :: 121.14(4.54) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.Q80 1.Q80 C Shift Assignments>> CA :: 60.184 CB :: 40.226 CG1 :: 26.923 CG2 :: 18.256 CD1 :: 13.548 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.390 HA :: 4.623 HB :: 2.021 HG12 :: 1.525 HG13 :: 1.338 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.062 Ave N Shift Values>> N :: 121.46(4.28) 1.S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.101 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.217 Ave N Shift Values>> N :: 116.28(3.52) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.404 CB :: 69.758 CG2 :: 21.788 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.411 HA :: 4.273 HB :: 4.110 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.301 Ave N Shift Values>> N :: 115.42(4.75) 1.V21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> CA :: 62.729 CB :: 32.283 CG1 :: 20.372 CG2 :: 21.088 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.716 HA :: 2.194(S) HB :: 1.446 HG11 :: 0.283 HG12 :: 0.283 HG13 :: 0.283 HG21 :: 0.503 HG22 :: 0.503 HG23 :: 0.503 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.639 Ave N Shift Values>> N :: 121.14(4.54) 1.V22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> CA :: 60.848 CB :: 33.476 CG1 :: 21.370 CG2 :: 21.212 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 5.164(S) HA :: 3.799 HB :: 1.645 HG11 :: 0.783 HG12 :: 0.783 HG13 :: 0.783 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.638 Ave N Shift Values>> N :: 121.14(4.54) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.308 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.171 HA2 :: 3.567 HA3 :: 3.782 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.559 Ave N Shift Values>> N :: 109.67(3.87) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.03 C Shift Assignments>> CA :: 57.701 CB :: 41.928 CG :: 27.361 CD1 :: 24.902 CD2 :: 24.628 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.118 HA :: 3.880 HB2 :: 1.654 HB3 :: 1.585 HG :: 1.742 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.055 Ave N Shift Values>> N :: 121.86(3.9) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 C 0.23 E 0.18 Y 0.15 M 0.07 D 0.03 I 0.02 K 0.01 L 0.01 C Shift Assignments>> CA :: 55.105 CB :: 37.216 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.427 HA :: 4.432 HB2 :: 2.870 HB3 :: 2.800 HD21 :: 6.790 HD22 :: 7.541 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.925 ND2 :: 113.099 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.34 C Shift Assignments>> CA :: 60.603 CB :: 39.294 CG1 :: 26.972 CG2 :: 17.878 CD1 :: 14.649 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.336 HA :: 4.534 HB :: 2.234 HG12 :: 1.189 HG13 :: 1.347 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 112.592 Ave N Shift Values>> N :: 121.46(4.28) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> CA :: 64.290 CB :: 39.239 CG1 :: 28.269 CG2 :: 17.808 CD1 :: 14.277 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.328 HA :: 3.564 HB :: 1.949 HG12 :: 2.102 HG13 :: 0.673 HG21 :: 0.826 HG22 :: 0.826 HG23 :: 0.826 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.258 Ave N Shift Values>> N :: 121.46(4.28) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.31 G 0.11 D 0.09 C 0.05 Y 0.03 K 0.02 C Shift Assignments>> CA :: 55.354 CB :: 43.773 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.912 HA :: 4.973 HB2 :: 2.637 HB3 :: 2.233 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.609 Ave N Shift Values>> N :: 120.65(3.86) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.25 K 0.1 G 0.1 C Shift Assignments>> CA :: 54.495 CB :: 34.578 CG :: 27.034 CD :: 43.140 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.872 HA :: 5.181 HB2 :: 1.685 HB3 :: 1.698 HG2 :: 1.409 HG3 :: 1.360 HD2 :: 2.694 HD3 :: 2.570 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.612 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> CA :: 60.605 CB :: 40.965 CG1 :: 27.969 CG2 :: 17.162 CD1 :: 14.576 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.764 HA :: 5.032 HB :: 1.714 HG12 :: 1.657 HG13 :: 0.949 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.391 Ave N Shift Values>> N :: 121.46(4.28) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.31 Q 0.13 E 0.04 C Shift Assignments>> CA :: 54.270 CB :: 32.499 CG :: 34.116 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.553 HA :: 5.177 HB2 :: 1.375 HB3 :: 1.330 HG2 :: 2.152 HG3 :: 2.102 HE21 :: 6.635 HE22 :: 7.457 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.904 NE2 :: 112.174 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> CA :: 61.477 CB :: 33.333 CG1 :: 20.812 CG2 :: 21.254 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.872 HA :: 4.797 HB :: 2.033 HG11 :: 0.819 HG12 :: 0.819 HG13 :: 0.819 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.473 Ave N Shift Values>> N :: 121.14(4.54) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.32 A 0.01 HN Overlap>> 1.V44 1.V44 C Shift Assignments>> CA :: 58.382 CB :: 70.507 CG2 :: 22.042 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.217 HA :: 5.190 HB :: 4.162 HG21 :: 1.385 HG22 :: 1.385 HG23 :: 1.385 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.491 Ave N Shift Values>> N :: 115.42(4.75) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> CA :: 61.557 CB :: 30.709 CG :: 26.907 CD :: 51.208 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.817 HB2 :: 2.391 HB3 :: 2.001 HG2 :: 1.954 HG3 :: 1.947 HD2 :: 3.824 HD3 :: 3.818 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.417 HB2 :: 1.754 HB3 :: 1.926 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.13 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.256 HA2 :: 4.087 HA3 :: 4.171 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.928 Ave N Shift Values>> N :: 109.67(3.87) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 Y 0.18 C 0.17 D 0.14 L 0.04 E 0.03 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.859 CB :: 38.363 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.875 HA :: 4.441 HB2 :: 2.835 HB3 :: 2.689 HD21 :: 6.848 HD22 :: 7.550 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.268 ND2 :: 113.031 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.445 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.183 HA2 :: 3.786 HA3 :: 3.887 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.147 Ave N Shift Values>> N :: 109.67(3.87) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.26 N 0.12 K 0.1 C 0.05 R 0.04 Y 0.03 C Shift Assignments>> CA :: 52.428 CB :: 41.847 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.701 HA :: 5.296 HB2 :: 3.282 HB3 :: 2.730 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.064 Ave N Shift Values>> N :: 120.17(4.64) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> CA :: 63.934 CB :: 31.396 CG :: 26.769 CD :: 51.430 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.782 HB2 :: 2.234 HB3 :: 2.178 HG2 :: 2.073 HG3 :: 1.826 HD2 :: 3.791 HD3 :: 3.791 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.09 G 0.02 C Shift Assignments>> CA :: 54.303 CB :: 35.473 CG :: 24.442 CD :: 29.343 CE :: 42.351 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.355 HA :: 4.728 HB2 :: 1.830 HB3 :: 1.695 HG2 :: 1.344 HG3 :: 1.231 HD2 :: 1.652 HD3 :: 1.650 HE2 :: 2.998 HE3 :: 3.001 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.861 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 63.703 CB :: 69.107 CG2 :: 21.579 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.366 HA :: 4.458 HB :: 3.845 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.781 Ave N Shift Values>> N :: 115.42(4.75) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 M 0.05 E 0.02 C Shift Assignments>> CA :: 55.733 CB :: 33.257 CG :: 39.022 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.452 HA :: 4.723 HB2 :: 2.048 HB3 :: 1.779 HG2 :: 2.386 HG3 :: 1.845 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.448 Ave N Shift Values>> N :: 120.67(3.48) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.T33 1.T33 C Shift Assignments>> CA :: 61.864 CB :: 32.912 CG1 :: 21.570 CG2 :: 21.390 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.178 HA :: 4.766 HB :: 1.977 HG11 :: 0.705 HG12 :: 0.705 HG13 :: 0.705 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.407 Ave N Shift Values>> N :: 121.14(4.54) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> CA :: 60.536 CB :: 34.873 CG1 :: 22.104 CG2 :: 21.641 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.687 HA :: 4.688 HB :: 1.784 HG11 :: 0.284 HG12 :: 0.284 HG13 :: 0.284 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.796 Ave N Shift Values>> N :: 121.14(4.54) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 C Shift Assignments>> CA :: 59.736 CB :: 41.013 CG1 :: 28.797 CG2 :: 18.582 CD1 :: 14.615 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.154 HA :: 4.982 HB :: 1.834 HG12 :: 1.656 HG13 :: 1.197 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.403 Ave N Shift Values>> N :: 121.46(4.28) 1.W47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> CA :: 56.300 CB :: 30.975 CD1 :: 125.735 CE3 :: 121.091 CZ2 :: 114.136 CZ3 :: 121.402 CH2 :: 124.064 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.118 HA :: 5.370 HB2 :: 3.370 HB3 :: 3.132 HD1 :: 6.935 HE1 :: 9.693 HE3 :: 7.430 HZ2 :: 7.324 HZ3 :: 6.895 HH2 :: 7.014 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.204 NE1 :: 128.516 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.29 C Shift Assignments>> CA :: 59.941 CB :: 72.033 CG2 :: 21.673 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.257 HA :: 5.301 HB :: 4.808 HG1 :: 5.893 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.907 Ave N Shift Values>> N :: 115.42(4.75) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.28 R 0.27 G 0.01 C Shift Assignments>> CA :: 58.825 CB :: 32.591 CG :: 26.580 CD :: 29.342 CE :: 42.316 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.002 HA :: 4.204 HB2 :: 2.060 HB3 :: 1.756 HG2 :: 1.462 HG3 :: 1.287 HD2 :: 1.721 HD3 :: 1.725 HE2 :: 2.934 HE3 :: 2.934 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.749 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.35 A 0.24 C Shift Assignments>> CA :: 55.107 CB :: 30.998 CG :: 33.354 CE :: 17.481 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.599 HA :: 4.683 HB2 :: 2.392 HB3 :: 1.832 HG2 :: 2.684 HG3 :: 2.585 HE1 :: 2.109 HE2 :: 2.109 HE3 :: 2.109 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.314 Ave N Shift Values>> N :: 120.09(3.57) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.3 K 0.16 L 0.02 G 0.01 C Shift Assignments>> CA :: 57.543 CB :: 28.477 CG :: 25.392 CD :: 29.021 CE :: 42.182 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.065 HA :: 3.852 HB2 :: 2.220 HB3 :: 2.068 HG2 :: 1.378 HG3 :: 1.382 HD2 :: 1.740 HD3 :: 1.738 HE2 :: 3.015 HE3 :: 3.014 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.609 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.33 R 0.1 C Shift Assignments>> CA :: 54.724 CB :: 33.764 CG :: 25.142 CD :: 28.645 CE :: 42.095 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.139 HA :: 4.563 HB2 :: 1.705 HB3 :: 1.626 HG2 :: 1.373 HG3 :: 1.214 HD2 :: 1.642 HD3 :: 1.665 HE2 :: 2.943 HE3 :: 2.943 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.609 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 HN Overlap>> 1.K73 1.K73 C Shift Assignments>> CA :: 61.087 CB :: 32.762 CG1 :: 20.641 CG2 :: 20.674 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.025 HA :: 4.560 HB :: 1.420 HG11 :: 0.176 HG12 :: 0.176 HG13 :: 0.176 HG21 :: 0.179 HG22 :: 0.179 HG23 :: 0.179 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.844 Ave N Shift Values>> N :: 121.14(4.54) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.47 G 0.01 C Shift Assignments>> CA :: 59.968 CB :: 42.232 CG1 :: 26.853 CG2 :: 18.006 CD1 :: 14.059 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.120 HA :: 4.333 HB :: 1.632 HG12 :: 1.334 HG13 :: 0.927 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.546 Ave N Shift Values>> N :: 121.46(4.28) 1.C55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.34 L 0.08 C Shift Assignments>> CA :: 57.382 CB :: 47.876 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.641 HA :: 5.466 HB2 :: 3.885 HB3 :: 3.052 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.043 Ave N Shift Values>> N :: 120.17(4.64) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> CA :: 59.683 CB :: 35.091 CG1 :: 22.600 CG2 :: 21.189 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.288 HA :: 4.937 HB :: 1.941 HG11 :: 0.998 HG12 :: 0.998 HG13 :: 0.998 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.393 Ave N Shift Values>> N :: 121.14(4.54) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.21 C 0.08 L 0.04 Y 0.02 C Shift Assignments>> CA :: 50.858 CB :: 39.457 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.386 HA :: 4.511 HB2 :: 2.940 HB3 :: 2.725 HD21 :: 7.036 HD22 :: 7.652 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.133 ND2 :: 112.552 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 C Shift Assignments>> CA :: 64.185 CB :: 32.452 CG :: 27.722 CD :: 51.357 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.984 HB2 :: 2.058 HB3 :: 1.853 HG2 :: 1.990 HG3 :: 1.853 HD2 :: 4.240 HD3 :: 3.792 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.31 K 0.06 G 0.05 L 0.01 C Shift Assignments>> CA :: 54.757 CB :: 29.903 CG :: 27.589 CD :: 43.117 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.698 HA :: 4.148 HB2 :: 1.992 HB3 :: 1.568 HG2 :: 1.612 HG3 :: 1.532 HD2 :: 3.175 HD3 :: 3.172 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 112.812 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.22 C 0.01 C Shift Assignments>> CA :: 52.748 CB :: 18.084 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.553 HA :: 4.155 HB1 :: 1.137 HB2 :: 1.137 HB3 :: 1.137 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.288 Ave N Shift Values>> N :: 123.23(3.54) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.41 R 0.09 C Shift Assignments>> CA :: 60.141 CB :: 31.815 CG :: 25.480 CD :: 28.968 CE :: 41.994 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.949 HA :: 3.889 HB2 :: 2.033 HB3 :: 1.940 HG2 :: 1.644 HG3 :: 1.521 HD2 :: 1.752 HD3 :: 1.748 HE2 :: 3.041 HE3 :: 3.053 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.499 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.47 C Shift Assignments>> CA :: 57.949 CB :: 27.290 CD1 :: 128.280 CE3 :: 120.636 CZ2 :: 115.252 CZ3 :: 122.732 CH2 :: 123.851 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.996 HA :: 4.366 HB2 :: 3.539 HB3 :: 3.285 HD1 :: 7.672 HE1 :: 9.955 HE3 :: 7.338 HZ2 :: 7.395 HZ3 :: 6.900 HH2 :: 6.881 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.487 NE1 :: 130.867 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.63 C 0.34 A 0.01 R 0.01 C Shift Assignments>> CA :: 56.124 CB :: 41.432 CG :: 26.402 CD1 :: 23.379 CD2 :: 25.301 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 5.692(S) HA :: 3.526 HB2 :: 1.260 HB3 :: -0.105(S) HG :: 1.083 HD11 :: 0.553 HD12 :: 0.553 HD13 :: 0.553 HD21 :: 0.559 HD22 :: 0.559 HD23 :: 0.559 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.080 Ave N Shift Values>> N :: 121.86(3.9) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.22 K 0.2 R 0.09 E 0.04 I 0.03 M 0.01 HN Overlap>> 1.R68 1.R68 C Shift Assignments>> CA :: 59.200 CB :: 27.932 CG :: 33.751 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.549 HA :: 3.714 HB2 :: 2.105 HB3 :: 2.027 HG2 :: 2.401 HG3 :: 2.305 HE21 :: 7.332 HE22 :: 6.794 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.838 NE2 :: 112.678 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.41 G 0.09 K 0.03 C Shift Assignments>> CA :: 59.185 CB :: 30.067 CG :: 27.778 CD :: 43.543 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.853 HA :: 4.021 HB3 :: 1.929 HG2 :: 1.775 HG3 :: 1.653 HD2 :: 3.259 HD3 :: 3.274 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.162 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.39 R 0.07 G 0.01 C Shift Assignments>> CA :: 57.681 CB :: 42.205 CG :: 27.331 CD1 :: 25.306 CD2 :: 25.016 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.462 HA :: 4.253 HB2 :: 1.930 HB3 :: 1.806 HG :: 1.764 HD11 :: 1.084 HD12 :: 1.084 HD13 :: 1.084 HD21 :: 0.965 HD22 :: 0.965 HD23 :: 0.965 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.594 Ave N Shift Values>> N :: 121.86(3.9) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 R 0.01 A 0.01 C Shift Assignments>> CA :: 56.995 CB :: 41.250 CG :: 26.804 CD1 :: 25.438 CD2 :: 22.871 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.083 HA :: 4.020 HB2 :: 1.727 HB3 :: 1.462 HG :: 1.716 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.029 Ave N Shift Values>> N :: 121.86(3.9) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.43 G 0.07 K 0.04 HN Overlap>> 1.Q64 1.Q64 C Shift Assignments>> CA :: 58.105 CB :: 30.130 CG :: 27.488 CD :: 43.464 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.510 HA :: 4.131 HB2 :: 1.842 HB3 :: 1.836 HG2 :: 1.675 HG3 :: 1.603 HD2 :: 3.187 HD3 :: 3.186 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.746 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.34 C 0.3 C Shift Assignments>> CA :: 57.463 CB :: 30.039 CD2 :: 120.036 CE1 :: 137.587 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.935 HA :: 4.586 HB2 :: 3.382 HB3 :: 3.224 HD2 :: 7.116 HE1 :: 8.158 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.463 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V70 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>> CA :: 63.648 CB :: 32.302 CG1 :: 21.504 CG2 :: 21.657 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.994 HA :: 4.002 HB :: 2.158 HG11 :: 1.016 HG12 :: 1.016 HG13 :: 1.016 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.700 Ave N Shift Values>> N :: 121.14(4.54) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 E 0.11 M 0.04 R 0.02 C Shift Assignments>> CA :: 56.689 CB :: 29.213 CG :: 34.144 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.181 HA :: 4.314 HB2 :: 2.145 HB3 :: 2.083 HG2 :: 2.436 HG3 :: 2.372 HE21 :: 6.768 HE22 :: 7.374 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.755 NE2 :: 111.579 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.084 CB :: 63.716 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.112 HA :: 4.420 HB2 :: 3.943 HB3 :: 3.913 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.486 Ave N Shift Values>> N :: 116.28(3.52) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.11 HN Overlap>> 1.V53 1.V53 C Shift Assignments>> CA :: 56.504 CB :: 32.836 CG :: 24.762 CD :: 28.977 CE :: 41.980 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.136 HA :: 4.355 HB2 :: 1.880 HB3 :: 1.783 HG2 :: 1.418 HG3 :: 1.447 HD2 :: 1.670 HD3 :: 1.676 HE2 :: 2.987 HE3 :: 2.979 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.850 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.637 CB :: 63.744 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.150 HA :: 4.454 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.307 Ave N Shift Values>> N :: 116.28(3.52) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 R 0.06 G 0.01 A 0.01 C Shift Assignments>> CA :: 55.348 CB :: 42.460 CG :: 27.147 CD1 :: 25.174 CD2 :: 23.564 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.171 HA :: 4.409 HB2 :: 1.671 HB3 :: 1.619 HG :: 1.644 HD11 :: 0.915 HD12 :: 0.915 HD13 :: 0.915 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.078 Ave N Shift Values>> N :: 121.86(3.9) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.218 CB :: 63.853 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.174 HA :: 4.532 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.061 Ave N Shift Values>> N :: 116.28(3.52) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.204 CB :: 63.878 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.230 HA :: 4.531 HB2 :: 3.891 HB3 :: 3.873 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.900 Ave N Shift Values>> N :: 116.28(3.52) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 59.849 CB :: 69.751 CG2 :: 21.486 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.118 HA :: 4.617 HB :: 4.143 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.438 Ave N Shift Values>> N :: 115.42(4.75) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.359 CB :: 32.150 CG :: 27.526 CD :: 51.157 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.410 HB2 :: 2.284 HB3 :: 1.900 HG2 :: 2.034 HG3 :: 1.981 HD2 :: 3.842 HD3 :: 3.695 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.24 C 0.23 M 0.1 E 0.08 R 0.01 HN Overlap>> 1.I18 1.I18 C Shift Assignments>> CA :: 55.479 CB :: 29.728 CG :: 33.916 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.401 HA :: 4.286 HB2 :: 2.072 HB3 :: 1.946 HG2 :: 2.370 HG3 :: 2.378 HE21 :: 6.795 HE22 :: 7.478 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.174 NE2 :: 112.873 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> CA :: 50.501 CB :: 18.193 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.277 HA :: 4.578 HB1 :: 1.349 HB2 :: 1.349 HB3 :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.183 Ave N Shift Values>> N :: 123.23(3.54) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 63.009 CB :: 32.103 CG :: 27.468 CD :: 50.544 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.466 HB2 :: 2.280 HB3 :: 1.896 HG2 :: 2.011 HG3 :: 2.022 HD2 :: 3.790 HD3 :: 3.633 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> CA :: 62.414 CB :: 32.799 CG1 :: 21.200 CG2 :: 20.751 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.191 HA :: 4.079 HB :: 2.066 HG11 :: 0.946 HG12 :: 0.946 HG13 :: 0.946 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.732 Ave N Shift Values>> N :: 121.14(4.54) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H6 1.H6 C Shift Assignments>> CA :: 58.300 CB :: 63.853 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.295 HA :: 4.491 HB2 :: 3.867 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.614 Ave N Shift Values>> N :: 116.28(3.52) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.1 C Shift Assignments>> CA :: 56.238 CB :: 33.130 CG :: 24.885 CD :: 29.033 CE :: 42.068 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.288 HA :: 4.334 HB2 :: 1.846 HB3 :: 1.728 HG2 :: 1.412 HG3 :: 1.413 HD2 :: 1.674 HD3 :: 1.675 HE2 :: 2.987 HE3 :: 2.981 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.826 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 G 0.06 K 0.06 HN Overlap>> 1.Y7 1.Y7 C Shift Assignments>> CA :: 56.052 CB :: 31.014 CG :: 27.208 CD :: 43.387 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.220 HA :: 4.304 HB2 :: 1.750 HB3 :: 1.750 HG2 :: 1.640 HG3 :: 1.612 HD2 :: 3.197 HD3 :: 3.197 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.736 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 G 0.07 K 0.06 C Shift Assignments>> CA :: 56.049 CB :: 30.969 CG :: 27.182 CD :: 43.387 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.346 HA :: 4.306 HB2 :: 1.838 HB3 :: 1.750 HG2 :: 1.639 HG3 :: 1.610 HD2 :: 3.196 HD3 :: 3.197 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.555 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> CA :: 52.382 CB :: 19.412 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.302 HA :: 4.302 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.680 Ave N Shift Values>> N :: 123.23(3.54) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.07 L 0.06 C 0.05 C Shift Assignments>> CA :: 53.767 CB :: 20.287 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.830 HA :: 4.093 HB1 :: 1.316 HB2 :: 1.316 HB3 :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.116 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 85 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 86 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 89 #Suspicious: 0 C Shift Results: #Consistent: 309 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 642 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 91 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R13 H = 11.429(S), Expected = 8.24, Std = 0.6100, ChiSquare = 1.7148e-07 1.V21 HA = 2.194(S), Expected = 4.19, Std = 0.5800, ChiSquare = 5.7876e-04 1.V22 H = 5.164(S), Expected = 8.29, Std = 0.6700, ChiSquare = 3.0761e-06 1.L63 H = 5.692(S), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4375e-05 1.L63 HB3 = -0.105(S), Expected = 1.52, Std = 0.3600, ChiSquare = 6.3650e-06