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>> M 0.73 A 0.26 C Shift Assignments>> C :: 171.767 CA :: 54.505 CB :: 32.613 CG :: 30.512 CE :: 16.186 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>> HA :: 4.157 HB2 :: 1.941 HB3 :: 2.002 HG2 :: 2.198 HG3 :: 2.418 HE1 :: 1.976 HE2 :: 1.976 HE3 :: 1.976 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.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 G 0.15 R 0.03 A 0.03 C Shift Assignments>> C :: 173.944 CA :: 54.471 CB :: 43.595 CG :: 26.799 CD1 :: 24.800 CD2 :: 23.489 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 :: 8.509 HA :: 4.463 HB2 :: 1.701 HB3 :: 1.332 HG :: 1.515 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 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 :: 127.160 Ave N Shift Values>> N :: 121.86(3.9) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 G 0.28 R 0.03 A 0.01 C Shift Assignments>> C :: 175.423 CA :: 53.566 CB :: 44.039 CG :: 27.696 CD1 :: 24.708 CD2 :: 24.148 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 :: 7.844 HA :: 5.128 HB2 :: 1.553 HB3 :: 1.149 HG :: 1.298 HD11 :: 0.463 HD12 :: 0.463 HD13 :: 0.463 HD21 :: 0.259 HD22 :: 0.259 HD23 :: 0.259 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 :: 122.555 Ave N Shift Values>> N :: 121.86(3.9) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 G 0.39 HN Overlap>> 1.F45 1.F45 C Shift Assignments>> C :: 174.481 CA :: 56.577 CB :: 43.840 CD1 :: 132.249 CD2 :: 132.249 CE1 :: 118.153 CE2 :: 118.201 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 :: 8.360 HA :: 5.143 HB2 :: 2.291 HB3 :: 2.458 HD1 :: 6.435 HD2 :: 6.435 HE1 :: 6.447 HE2 :: 6.447 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 :: 119.315 Ave N Shift Values>> N :: 120.52(4.2) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.042 CA :: 59.852 CB :: 33.816 CG1 :: 20.798 CG2 :: 22.186 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 :: 8.918 HA :: 5.106 HB :: 1.861 HG11 :: 0.726 HG12 :: 0.726 HG13 :: 0.726 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 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 :: 119.952 Ave N Shift Values>> N :: 121.14(4.54) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 G 0.37 R 0.02 A 0.01 C Shift Assignments>> C :: 175.049 CA :: 52.090 CB :: 44.103 CG :: 27.000 CD1 :: 25.583 CD2 :: 24.213 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 :: 9.315 HA :: 5.466 HB2 :: 1.179 HB3 :: 1.648 HG :: 1.525 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 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 :: 126.917 Ave N Shift Values>> N :: 121.86(3.9) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.01 C Shift Assignments>> C :: 173.213 CA :: 58.463 CB :: 41.020 CG1 :: 27.841 CG2 :: 16.806 CD1 :: 13.689 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 :: 8.458 HA :: 5.131 HB :: 1.522 HG12 :: 1.424 HG13 :: 0.893 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 HD11 :: 0.620 HD12 :: 0.620 HD13 :: 0.620 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 :: 119.778 Ave N Shift Values>> N :: 121.46(4.28) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.611 CA :: 60.227 CB :: 37.665 CG1 :: 26.303 CG2 :: 17.453 CD1 :: 13.689 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 :: 8.797 HA :: 4.611 HB :: 1.895 HG12 :: 1.362 HG13 :: 0.887 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 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 :: 128.919 Ave N Shift Values>> N :: 121.46(4.28) 1.S9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.937 CA :: 58.241 CB :: 64.261 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.811 HA :: 4.429 HB2 :: 2.991(S) HB3 :: 3.925 HG :: 6.060 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 :: 116.365 Ave N Shift Values>> N :: 116.28(3.52) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.21 F 0.05 L 0.05 Y 0.05 HN Overlap>> 1.D11 1.D11 C Shift Assignments>> C :: 174.497 CA :: 52.221 CB :: 39.128 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 :: 8.641 HA :: 4.938 HB2 :: 2.928 HB3 :: 2.753 HD21 :: 6.984 HD22 :: 7.605 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 :: 122.612 ND2 :: 113.401 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.2 F 0.07 K 0.06 Y 0.05 HN Overlap>> 1.N10 1.N10 C Shift Assignments>> C :: 175.342 CA :: 53.233 CB :: 40.965 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 :: 8.673 HA :: 4.596 HB2 :: 2.432 HB3 :: 2.994 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 :: 122.717 Ave N Shift Values>> N :: 120.65(3.86) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.12 C Shift Assignments>> C :: 178.754 CA :: 59.581 CB :: 32.378 CG :: 25.000 CD :: 29.089 CE :: 41.800 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 :: 8.562 HA :: 3.854 HB2 :: 1.864 HB3 :: 1.866 HG2 :: 1.445 HG3 :: 1.594 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 3.007 HE3 :: 2.965 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 :: 125.737 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 C Shift Assignments>> C :: 178.315 CA :: 58.532 CB :: 31.452 CG :: 25.000 CD :: 28.935 CE :: 41.800 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 :: 8.075 HA :: 4.154 HB2 :: 1.916 HB3 :: 1.914 HG2 :: 1.430 HG3 :: 1.497 HD2 :: 1.700 HD3 :: 1.702 HE2 :: 2.960 HE3 :: 2.958 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 :: 119.604 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 C Shift Assignments>> C :: 178.429 CA :: 58.999 CB :: 41.228 CG :: 28.115 CD1 :: 25.643 CD2 :: 24.353 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 :: 7.552 HA :: 3.682 HB2 :: 1.522 HB3 :: 1.902 HG :: 1.349 HD11 :: 0.677 HD12 :: 0.677 HD13 :: 0.677 HD21 :: 0.708 HD22 :: 0.708 HD23 :: 0.708 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 :: 122.266 Ave N Shift Values>> N :: 121.86(3.9) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R46 1.R46 C Shift Assignments>> C :: 177.000 CA :: 65.939 CB :: 37.983 CG1 :: 29.425 CG2 :: 17.317 CD1 :: 13.000 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 :: 8.074 HA :: 3.264 HB :: 1.729 HG12 :: 1.693 HG13 :: 0.754 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 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 :: 118.214 Ave N Shift Values>> N :: 121.46(4.28) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.21 K 0.15 Q 0.09 M 0.02 C Shift Assignments>> C :: 179.388 CA :: 59.032 CB :: 29.200 CG :: 36.000 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 :: 8.016 HA :: 4.045 HB2 :: 2.075 HB3 :: 2.165 HG2 :: 2.338 HG3 :: 2.298 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 :: 118.484 Ave N Shift Values>> N :: 120.67(3.48) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.18 K 0.16 Q 0.1 M 0.01 HN Overlap>> 1.W92 1.R46 1.W92 1.R46 C Shift Assignments>> C :: 179.306 CA :: 58.636 CB :: 29.011 CG :: 36.000 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 :: 8.063 HA :: 4.053 HB2 :: 1.941 HB3 :: 2.006 HG2 :: 2.244 HG3 :: 2.429 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 :: 118.100 Ave N Shift Values>> N :: 120.67(3.48) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.41 I 0.03 C Shift Assignments>> C :: 178.559 CA :: 54.960 CB :: 17.960 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.655 HA :: 3.775 HB1 :: 1.227 HB2 :: 1.227 HB3 :: 1.227 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.439 Ave N Shift Values>> N :: 123.23(3.54) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.12 K 0.07 C Shift Assignments>> C :: 178.721 CA :: 59.976 CB :: 29.572 CG :: 27.707 CD :: 43.165 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 :: 8.900 HA :: 3.809 HB2 :: 1.892 HB3 :: 1.929 HG2 :: 1.585 HG3 :: 1.760 HD2 :: 3.176 HD3 :: 3.176 HE :: 7.450 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 :: 118.563 NE :: 83.223 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.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 C Shift Assignments>> C :: 179.648 CA :: 59.296 CB :: 32.216 CG :: 25.107 CD :: 29.193 CE :: 41.800 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 :: 7.792 HA :: 4.052 HB2 :: 1.889 HB3 :: 1.934 HG2 :: 1.457 HG3 :: 1.674 HD2 :: 1.677 HD3 :: 1.674 HE2 :: 2.912 HE3 :: 2.913 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 :: 118.638 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.88 A 0.11 C Shift Assignments>> C :: 177.909 CA :: 57.009 CB :: 32.028 CG :: 31.909 CE :: 17.935 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 :: 7.684 HA :: 4.411 HB2 :: 2.050 HB3 :: 2.399 HG2 :: 2.940 HG3 :: 2.400 HE1 :: 2.098 HE2 :: 2.098 HE3 :: 2.098 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 :: 118.100 Ave N Shift Values>> N :: 120.09(3.57) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.34 I 0.04 C Shift Assignments>> C :: 178.835 CA :: 55.427 CB :: 18.059 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.815 HA :: 3.826 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.150 Ave N Shift Values>> N :: 123.23(3.54) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.24 K 0.13 Q 0.06 M 0.01 C Shift Assignments>> C :: 180.151 CA :: 58.999 CB :: 29.160 CG :: 36.227 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 :: 8.276 HA :: 4.146 HB2 :: 2.086 HB3 :: 2.153 HG2 :: 2.270 HG3 :: 2.490 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 :: 117.001 Ave N Shift Values>> N :: 120.67(3.48) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.2 HN Overlap>> 1.E88 1.E88 C Shift Assignments>> C :: 177.145 CA :: 58.261 CB :: 32.079 CG :: 25.000 CD :: 28.900 CE :: 41.800 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 :: 7.573 HA :: 4.101 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 1.586 HG3 :: 1.508 HD2 :: 1.695 HD3 :: 1.696 HE2 :: 2.962 HE3 :: 2.962 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 :: 119.960 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A25 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>> C :: 175.325 CA :: 51.208 CB :: 18.520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.710 HA :: 4.413 HB1 :: 1.338 HB2 :: 1.338 HB3 :: 1.338 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.257 Ave N Shift Values>> N :: 123.23(3.54) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 E 0.19 Y 0.12 M 0.1 F 0.08 D 0.03 K 0.02 I 0.01 L 0.01 C Shift Assignments>> C :: 173.587 CA :: 54.307 CB :: 36.972 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 :: 7.840 HA :: 4.357 HB2 :: 2.736 HB3 :: 3.066 HD21 :: 6.751 HD22 :: 7.466 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 :: 115.266 ND2 :: 112.341 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.38 R 0.06 C Shift Assignments>> C :: 175.894 CA :: 52.923 CB :: 44.090 CG :: 26.520 CD1 :: 26.588 CD2 :: 25.255 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 :: 8.241 HA :: 4.652 HB2 :: 1.457 HB3 :: 1.343 HG :: 1.598 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.729 HD22 :: 0.729 HD23 :: 0.729 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 :: 116.828 Ave N Shift Values>> N :: 121.86(3.9) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.23 Q 0.14 K 0.08 I 0.01 C Shift Assignments>> C :: 173.944 CA :: 55.460 CB :: 30.512 CG :: 35.828 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 :: 7.798 HA :: 4.310 HB2 :: 1.742 HB3 :: 1.563 HG2 :: 2.063 HG3 :: 2.063 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 :: 121.340 Ave N Shift Values>> N :: 120.67(3.48) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.35 R 0.02 C Shift Assignments>> C :: 176.902 CA :: 53.186 CB :: 44.914 CG :: 27.000 CD1 :: 26.644 CD2 :: 24.697 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 :: 8.451 HA :: 5.662 HB2 :: 1.159 HB3 :: 1.596 HG :: 1.435 HD11 :: 0.653 HD12 :: 0.653 HD13 :: 0.653 HD21 :: 0.642 HD22 :: 0.642 HD23 :: 0.642 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 :: 126.547 Ave N Shift Values>> N :: 121.86(3.9) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.36 G 0.05 C Shift Assignments>> C :: 175.147 CA :: 53.417 CB :: 32.555 CG :: 26.440 CD :: 42.607 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 :: 9.094 HA :: 4.910 HB2 :: 1.603 HB3 :: 1.370 HG2 :: 1.293 HG3 :: 1.530 HD2 :: 2.673 HD3 :: 3.083 HE :: 7.789 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 :: 125.043 NE :: 84.197 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.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.961 CA :: 60.445 CB :: 69.492 CG2 :: 22.099 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 :: 8.496 HA :: 4.888 HB :: 4.240 HG21 :: 1.140 HG22 :: 1.140 HG23 :: 1.140 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 :: 114.745 Ave N Shift Values>> N :: 115.42(4.75) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.082 CA :: 60.946 CB :: 34.487 CG1 :: 23.398 CG2 :: 22.020 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 :: 8.480 HA :: 4.411 HB :: 1.940 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 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 :: 122.324 Ave N Shift Values>> N :: 121.14(4.54) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.1 C Shift Assignments>> C :: 176.740 CA :: 56.846 CB :: 34.355 CG :: 24.849 CD :: 28.639 CE :: 41.800 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 :: 9.304 HA :: 4.534 HB2 :: 1.917 HB3 :: 1.915 HG2 :: 1.548 HG3 :: 1.504 HD2 :: 1.724 HD3 :: 1.724 HE2 :: 3.020 HE3 :: 3.020 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 :: 123.654 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 A 0.04 C Shift Assignments>> C :: 174.529 CA :: 58.859 CB :: 73.023 CG2 :: 21.621 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 :: 7.245 HA :: 4.780 HB :: 4.595 HG21 :: 1.174 HG22 :: 1.174 HG23 :: 1.174 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 :: 106.300 Ave N Shift Values>> N :: 115.42(4.75) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.27 K 0.1 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.714 CA :: 59.233 CB :: 29.377 CG :: 36.405 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 :: 9.174 HA :: 3.886 HB2 :: 2.007 HB3 :: 2.080 HG2 :: 2.196 HG3 :: 2.196 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 :: 121.919 Ave N Shift Values>> N :: 120.67(3.48) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 D 0.15 L 0.14 I 0.05 N 0.04 K 0.04 C Shift Assignments>> C :: 178.348 CA :: 56.962 CB :: 40.214 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 :: 8.185 HA :: 4.289 HB2 :: 2.505 HB3 :: 2.506 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 :: 118.332 Ave N Shift Values>> N :: 120.65(3.86) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 I 0.2 M 0.06 K 0.04 Q 0.01 C Shift Assignments>> C :: 177.324 CA :: 58.698 CB :: 30.199 CG :: 36.945 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 :: 7.741 HA :: 3.708 HB2 :: 1.977 HB3 :: 2.125 HG2 :: 2.258 HG3 :: 2.109 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 :: 120.704 Ave N Shift Values>> N :: 120.67(3.48) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 R 0.01 C Shift Assignments>> C :: 177.357 CA :: 58.305 CB :: 40.837 CG :: 27.000 CD1 :: 23.569 CD2 :: 25.549 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 :: 7.531 HA :: 3.873 HB2 :: 1.455 HB3 :: 2.072 HG :: 1.459 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 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 :: 119.200 Ave N Shift Values>> N :: 121.86(3.9) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 C Shift Assignments>> C :: 177.373 CA :: 60.290 CB :: 32.178 CG :: 25.609 CD :: 29.357 CE :: 41.800 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 :: 8.083 HA :: 3.608 HB2 :: 1.798 HB3 :: 1.862 HG2 :: 1.344 HG3 :: 1.441 HD2 :: 1.654 HD3 :: 1.641 HE2 :: 2.871 HE3 :: 2.877 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 :: 116.943 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.19 C Shift Assignments>> C :: 179.566 CA :: 58.993 CB :: 31.758 CG :: 24.651 CD :: 28.900 CE :: 41.800 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 :: 7.632 HA :: 3.864 HB2 :: 1.646 HB3 :: 1.683 HG2 :: 1.157 HG3 :: 1.358 HD2 :: 1.464 HD3 :: 1.465 HE2 :: 2.768 HE3 :: 2.769 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 :: 118.274 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.625 CA :: 59.757 CB :: 36.901 CD1 :: 131.894 CD2 :: 131.894 CE1 :: 118.201 CE2 :: 118.201 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 :: 7.823 HA :: 3.926 HB2 :: 2.314 HB3 :: 2.638 HD1 :: 6.828 HD2 :: 6.828 HE1 :: 6.855 HE2 :: 6.855 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 :: 117.811 Ave N Shift Values>> N :: 120.52(4.2) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 A 0.02 HN Overlap>> 1.Q72 1.Q72 C Shift Assignments>> C :: 178.396 CA :: 58.237 CB :: 40.507 CG :: 26.360 CD1 :: 25.643 CD2 :: 21.928 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 :: 7.964 HA :: 3.704 HB2 :: 1.807 HB3 :: 1.302 HG :: 1.896 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 115.960 Ave N Shift Values>> N :: 121.86(3.9) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.26 K 0.11 Q 0.05 M 0.01 C Shift Assignments>> C :: 179.193 CA :: 59.122 CB :: 29.244 CG :: 36.307 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 :: 8.193 HA :: 3.882 HB2 :: 1.906 HB3 :: 2.064 HG2 :: 2.188 HG3 :: 2.322 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 :: 117.175 Ave N Shift Values>> N :: 120.67(3.48) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.2 K 0.18 Q 0.13 R 0.01 C Shift Assignments>> C :: 179.875 CA :: 58.867 CB :: 28.648 CG :: 35.748 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 :: 7.601 HA :: 3.936 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 2.134 HG3 :: 2.353 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 :: 120.472 Ave N Shift Values>> N :: 120.67(3.48) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.Y4 1.Y4 C Shift Assignments>> C :: 177.942 CA :: 55.945 CB :: 36.680 CD1 :: 129.629 CD2 :: 129.629 CE1 :: 129.731 CE2 :: 129.731 CZ :: 127.521 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.260 HA :: 4.520 HB2 :: 2.983 HB3 :: 2.967 HD1 :: 6.657 HD2 :: 6.657 HE1 :: 6.509 HE2 :: 6.509 HZ :: 6.139 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.272 Ave N Shift Values>> N :: 120.45(4.18) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.16 K 0.07 L 0.02 HN Overlap>> 1.I15 1.E17 1.D65 1.I15 1.E17 1.D65 C Shift Assignments>> C :: 177.617 CA :: 58.194 CB :: 29.737 CG :: 26.759 CD :: 43.644 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 :: 8.023 HA :: 4.074 HB2 :: 1.974 HB3 :: 1.959 HG2 :: 1.825 HG3 :: 1.787 HD2 :: 3.314 HD3 :: 3.193 HE :: 7.468 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 :: 118.136 NE :: 84.197 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.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 C Shift Assignments>> C :: 177.324 CA :: 57.726 CB :: 32.409 CG :: 25.000 CD :: 29.277 CE :: 41.800 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 :: 7.470 HA :: 4.143 HB2 :: 1.968 HB3 :: 1.924 HG2 :: 1.491 HG3 :: 1.622 HD2 :: 1.680 HD3 :: 1.681 HE2 :: 2.974 HE3 :: 2.974 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 :: 116.943 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 Q 0.18 K 0.18 M 0.09 I 0.02 C Shift Assignments>> C :: 176.869 CA :: 55.945 CB :: 29.696 CG :: 35.741 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 :: 7.615 HA :: 4.428 HB2 :: 2.298 HB3 :: 2.047 HG2 :: 2.333 HG3 :: 2.429 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 :: 118.852 Ave N Shift Values>> N :: 120.67(3.48) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.838 CA :: 59.366 CB :: 63.116 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.725 HA :: 4.244 HB2 :: 4.058 HB3 :: 3.856 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 :: 114.224 Ave N Shift Values>> N :: 116.28(3.52) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.37 E 0.1 R 0.06 M 0.05 C Shift Assignments>> C :: 175.732 CA :: 56.272 CB :: 28.946 CG :: 33.905 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 :: 8.548 HA :: 4.398 HB2 :: 2.023 HB3 :: 2.174 HG2 :: 2.400 HG3 :: 2.431 HE21 :: 6.919 HE22 :: 7.623 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 :: 120.125 NE2 :: 112.801 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.28 L 0.08 F 0.07 Y 0.06 C Shift Assignments>> C :: 173.717 CA :: 52.804 CB :: 39.583 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 :: 8.534 HA :: 4.980 HB2 :: 2.946 HB3 :: 2.675 HD21 :: 6.978 HD22 :: 7.685 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 :: 118.158 ND2 :: 112.977 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.03 A 0.01 C Shift Assignments>> C :: 175.049 CA :: 59.364 CB :: 42.163 CG1 :: 27.191 CG2 :: 17.781 CD1 :: 14.375 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 :: 7.492 HA :: 5.338 HB :: 1.670 HG12 :: 1.042 HG13 :: 1.457 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 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 :: 117.927 Ave N Shift Values>> N :: 121.46(4.28) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.26 G 0.01 C Shift Assignments>> C :: 175.082 CA :: 55.429 CB :: 36.446 CG :: 25.000 CD :: 29.437 CE :: 41.800 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 :: 8.467 HA :: 5.044 HB2 :: 1.841 HB3 :: 1.685 HG2 :: 1.463 HG3 :: 1.468 HD2 :: 1.459 HD3 :: 1.552 HE2 :: 2.830 HE3 :: 2.833 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 :: 123.249 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.473 CA :: 60.163 CB :: 35.509 CG1 :: 21.392 CG2 :: 22.122 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 :: 8.490 HA :: 5.159 HB :: 1.885 HG11 :: 0.761 HG12 :: 0.761 HG13 :: 0.761 HG21 :: 0.654 HG22 :: 0.654 HG23 :: 0.654 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 :: 120.762 Ave N Shift Values>> N :: 121.14(4.54) 1.L55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.54 A 0.35 R 0.07 G 0.02 C Shift Assignments>> C :: 173.652 CA :: 52.289 CB :: 42.070 CG :: 27.000 CD1 :: 22.304 CD2 :: 26.144 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 :: 8.636 HA :: 4.670 HB2 :: -0.629(S) HB3 :: 1.028 HG :: 0.965 HD11 :: 0.436 HD12 :: 0.436 HD13 :: 0.436 HD21 :: 0.508 HD22 :: 0.508 HD23 :: 0.508 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 :: 131.898 Ave N Shift Values>> N :: 121.86(3.9) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.172 CA :: 59.976 CB :: 38.181 CG1 :: 27.600 CG2 :: 16.631 CD1 :: 13.817 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 :: 9.188 HA :: 4.879 HB :: 1.763 HG12 :: 1.531 HG13 :: 0.714 HG21 :: 0.599 HG22 :: 0.599 HG23 :: 0.599 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 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 :: 126.373 Ave N Shift Values>> N :: 121.46(4.28) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 G 0.04 A 0.03 R 0.02 C Shift Assignments>> C :: 175.358 CA :: 52.086 CB :: 42.445 CG :: 26.281 CD1 :: 23.910 CD2 :: 25.483 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 :: 8.929 HA :: 5.394 HB2 :: 1.195 HB3 :: 1.824 HG :: 1.501 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 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 :: 126.547 Ave N Shift Values>> N :: 121.86(3.9) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 A 0.07 C Shift Assignments>> C :: 175.244 CA :: 58.241 CB :: 33.165 CG1 :: 21.780 CG2 :: 19.320 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 :: 8.542 HA :: 5.253 HB :: 2.598 HG11 :: 0.720 HG12 :: 0.720 HG13 :: 0.720 HG21 :: 0.675 HG22 :: 0.675 HG23 :: 0.675 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 :: 114.398 Ave N Shift Values>> N :: 121.14(4.54) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 174.172 CA :: 59.320 CB :: 65.600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.797 HA :: 5.063 HB2 :: 4.158 HB3 :: 4.037 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 :: 115.497 Ave N Shift Values>> N :: 116.28(3.52) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.35 L 0.12 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 174.464 CA :: 52.007 CB :: 40.336 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 :: 7.730 HA :: 4.811 HB2 :: 2.892 HB3 :: 3.058 HD21 :: 6.872 HD22 :: 7.374 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 :: 117.522 ND2 :: 113.684 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 L 0.13 D 0.13 I 0.06 K 0.05 N 0.02 C Shift Assignments>> C :: 177.357 CA :: 57.351 CB :: 40.383 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 :: 8.577 HA :: 4.365 HB2 :: 2.509 HB3 :: 2.732 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 :: 119.431 Ave N Shift Values>> N :: 120.65(3.86) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.41 K 0.07 Q 0.02 C Shift Assignments>> C :: 179.615 CA :: 59.593 CB :: 28.478 CG :: 36.626 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 :: 8.405 HA :: 4.121 HB2 :: 2.015 HB3 :: 2.088 HG2 :: 2.263 HG3 :: 2.263 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 :: 122.150 Ave N Shift Values>> N :: 120.67(3.48) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 K 0.13 Q 0.1 I 0.1 M 0.08 C Shift Assignments>> C :: 178.478 CA :: 58.273 CB :: 29.931 CG :: 36.000 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 :: 8.384 HA :: 3.913 HB2 :: 2.197 HB3 :: 1.778 HG2 :: 2.295 HG3 :: 2.515 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 :: 119.084 Ave N Shift Values>> N :: 120.67(3.48) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.06 C Shift Assignments>> C :: 177.535 CA :: 58.944 CB :: 41.695 CG :: 27.000 CD1 :: 24.355 CD2 :: 25.460 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 :: 7.717 HA :: 3.750 HB2 :: 2.112 HB3 :: 1.490 HG :: 1.480 HD11 :: 0.741 HD12 :: 0.741 HD13 :: 0.741 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 120.357 Ave N Shift Values>> N :: 121.86(3.9) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 D 0.13 L 0.12 I 0.06 K 0.03 N 0.03 HN Overlap>> 1.R46 1.R46 C Shift Assignments>> C :: 179.095 CA :: 57.272 CB :: 40.196 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 :: 7.922 HA :: 4.313 HB2 :: 2.714 HB3 :: 2.641 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 :: 118.100 Ave N Shift Values>> N :: 120.65(3.86) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.36 C Shift Assignments>> C :: 178.624 CA :: 58.429 CB :: 31.727 CG :: 24.579 CD :: 27.818 CE :: 41.800 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 :: 7.802 HA :: 4.078 HB2 :: 1.766 HB3 :: 1.861 HG2 :: 1.491 HG3 :: 1.493 HD2 :: 1.601 HD3 :: 1.701 HE2 :: 2.895 HE3 :: 2.901 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 :: 119.343 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.3 I 0.04 C Shift Assignments>> C :: 178.591 CA :: 55.403 CB :: 17.793 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.480 HA :: 3.853 HB1 :: 1.336 HB2 :: 1.336 HB3 :: 1.336 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.562 Ave N Shift Values>> N :: 123.23(3.54) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 C Shift Assignments>> C :: 179.095 CA :: 59.952 CB :: 32.181 CG :: 25.261 CD :: 29.516 CE :: 41.800 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 :: 8.186 HA :: 3.805 HB2 :: 1.838 HB3 :: 1.871 HG2 :: 1.642 HG3 :: 1.348 HD2 :: 1.652 HD3 :: 1.651 HE2 :: 2.910 HE3 :: 2.908 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 :: 116.165 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.19 K 0.15 Q 0.1 M 0.02 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 179.079 CA :: 59.022 CB :: 29.274 CG :: 35.908 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 :: 7.904 HA :: 3.995 HB2 :: 2.126 HB3 :: 2.126 HG2 :: 2.126 HG3 :: 2.340 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 :: 119.489 Ave N Shift Values>> N :: 120.67(3.48) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 HN Overlap>> 1.E69 1.E69 C Shift Assignments>> C :: 178.738 CA :: 57.486 CB :: 41.695 CG :: 27.000 CD1 :: 25.210 CD2 :: 24.200 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 :: 7.962 HA :: 4.020 HB2 :: 1.368 HB3 :: 1.715 HG :: 1.698 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 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 :: 119.431 Ave N Shift Values>> N :: 121.86(3.9) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.46 I 0.03 C Shift Assignments>> C :: 179.518 CA :: 55.139 CB :: 18.487 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.260 HA :: 3.845 HB1 :: 1.410 HB2 :: 1.410 HB3 :: 1.410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.604 Ave N Shift Values>> N :: 123.23(3.54) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.33 R 0.12 E 0.09 I 0.03 M 0.01 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> C :: 178.900 CA :: 58.194 CB :: 28.056 CG :: 33.994 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 :: 7.910 HA :: 4.154 HB2 :: 2.163 HB3 :: 2.235 HG2 :: 2.424 HG3 :: 2.537 HE21 :: 6.852 HE22 :: 7.439 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 :: 115.960 NE2 :: 111.529 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.2 C Shift Assignments>> C :: 177.730 CA :: 57.867 CB :: 32.277 CG :: 25.000 CD :: 28.900 CE :: 41.800 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 :: 7.841 HA :: 4.171 HB2 :: 1.957 HB3 :: 1.956 HG2 :: 1.492 HG3 :: 1.598 HD2 :: 1.667 HD3 :: 1.665 HE2 :: 2.951 HE3 :: 2.946 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 :: 119.027 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.28 C Shift Assignments>> C :: 174.416 CA :: 55.194 CB :: 33.366 CG :: 33.037 CE :: 17.280 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 :: 7.746 HA :: 4.403 HB2 :: 2.062 HB3 :: 1.962 HG2 :: 2.527 HG3 :: 2.623 HE1 :: 2.001 HE2 :: 2.001 HE3 :: 2.001 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 :: 115.786 Ave N Shift Values>> N :: 120.09(3.57) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.31 K 0.07 Q 0.05 L 0.03 R 0.01 C Shift Assignments>> C :: 175.130 CA :: 56.722 CB :: 27.118 CG :: 36.706 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 :: 8.076 HA :: 4.001 HB2 :: 2.135 HB3 :: 2.189 HG2 :: 2.172 HG3 :: 2.174 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 :: 116.249 Ave N Shift Values>> N :: 120.67(3.48) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 174.529 CA :: 58.475 CB :: 40.337 CG1 :: 26.748 CG2 :: 17.574 CD1 :: 13.653 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 :: 7.560 HA :: 4.428 HB :: 1.644 HG12 :: 1.089 HG13 :: 1.436 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 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 :: 115.960 Ave N Shift Values>> N :: 121.46(4.28) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.24 L 0.16 F 0.11 Y 0.09 K 0.02 C Shift Assignments>> C :: 174.123 CA :: 54.069 CB :: 40.233 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 :: 8.889 HA :: 4.569 HB2 :: 3.208 HB3 :: 2.635 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 :: 126.142 Ave N Shift Values>> N :: 120.65(3.86) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 C Shift Assignments>> C :: 174.968 CA :: 58.804 CB :: 35.293 CG1 :: 21.237 CG2 :: 21.097 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 :: 7.754 HA :: 5.192 HB :: 1.780 HG11 :: 0.745 HG12 :: 0.745 HG13 :: 0.745 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 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.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 K 0.11 G 0.08 C Shift Assignments>> C :: 174.221 CA :: 54.117 CB :: 31.196 CG :: 26.759 CD :: 43.086 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 :: 8.499 HA :: 4.712 HB2 :: 1.600 HB3 :: 1.654 HG2 :: 1.534 HG3 :: 1.535 HD2 :: 3.071 HD3 :: 3.073 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 :: 125.637 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.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.497 CA :: 59.694 CB :: 69.772 CG2 :: 22.134 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 :: 8.416 HA :: 5.332 HB :: 3.679 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 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 :: 118.084 Ave N Shift Values>> N :: 115.42(4.75) 1.R81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.76 R 0.19 G 0.03 C Shift Assignments>> C :: 173.733 CA :: 53.273 CB :: 33.915 CG :: 25.882 CD :: 42.208 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 :: 8.758 HA :: 4.362 HB2 :: 0.933 HB3 :: 1.058 HG2 :: 0.428(S) HG3 :: 0.739 HD2 :: 1.725(S) HD3 :: 2.308 HE :: 5.835 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 :: 122.844 NE :: 83.710 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.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.11 C Shift Assignments>> C :: 175.667 CA :: 54.960 CB :: 32.603 CG :: 25.000 CD :: 28.900 CE :: 41.510 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 :: 8.721 HA :: 4.701 HB2 :: 1.342 HB3 :: 1.764 HG2 :: 1.063 HG3 :: 1.137 HD2 :: 1.459 HD3 :: 1.566 HE2 :: 2.738 HE3 :: 2.855 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 :: 124.668 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.01 C Shift Assignments>> C :: 174.594 CA :: 59.413 CB :: 35.298 CG1 :: 23.611 CG2 :: 21.211 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 :: 9.112 HA :: 4.796 HB :: 2.112 HG11 :: 1.011 HG12 :: 1.011 HG13 :: 1.011 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 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 :: 122.381 Ave N Shift Values>> N :: 121.14(4.54) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.993 CA :: 60.960 CB :: 70.100 CG2 :: 21.000 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 :: 9.200 HA :: 4.579 HB :: 4.440 HG21 :: 1.242 HG22 :: 1.242 HG23 :: 1.242 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 :: 113.183 Ave N Shift Values>> N :: 115.42(4.75) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.205 CB :: 64.376 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.688 HA :: 5.136 HB2 :: 3.902 HB3 :: 4.190 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 :: 115.555 Ave N Shift Values>> N :: 116.28(3.52) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.227 CA :: 65.038 CB :: 31.711 CG :: 27.300 CD :: 50.674 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 :: 4.090 HB2 :: 2.119 HB3 :: 2.104 HG2 :: 1.692 HG3 :: 2.195 HD2 :: 3.977 HD3 :: 3.976 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.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 D 0.12 L 0.12 I 0.07 N 0.03 K 0.03 C Shift Assignments>> C :: 178.721 CA :: 57.311 CB :: 40.102 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 :: 8.131 HA :: 4.223 HB2 :: 2.497 HB3 :: 2.497 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 :: 115.381 Ave N Shift Values>> N :: 120.65(3.86) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 I 0.2 K 0.06 M 0.06 Q 0.02 HN Overlap>> 1.K24 1.K24 C Shift Assignments>> C :: 177.097 CA :: 58.729 CB :: 30.052 CG :: 36.785 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 :: 7.571 HA :: 3.659 HB2 :: 1.809 HB3 :: 2.077 HG2 :: 2.141 HG3 :: 1.943 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 :: 120.009 Ave N Shift Values>> N :: 120.67(3.48) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.22 I 0.05 C Shift Assignments>> C :: 178.267 CA :: 55.607 CB :: 17.348 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.423 HA :: 3.900 HB1 :: 1.338 HB2 :: 1.338 HB3 :: 1.338 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.873 Ave N Shift Values>> N :: 123.23(3.54) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.11 C Shift Assignments>> C :: 177.649 CA :: 60.351 CB :: 32.087 CG :: 25.289 CD :: 29.437 CE :: 41.800 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 :: 8.046 HA :: 3.669 HB2 :: 1.812 HB3 :: 1.834 HG2 :: 1.286 HG3 :: 1.584 HD2 :: 1.739 HD3 :: 1.696 HE2 :: 2.811 HE3 :: 2.936 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 :: 114.834 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.14 G 0.1 L 0.03 C Shift Assignments>> C :: 178.998 CA :: 59.164 CB :: 29.274 CG :: 26.796 CD :: 43.245 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 :: 7.468 HA :: 3.887 HB2 :: 1.486 HB3 :: 1.682 HG2 :: 1.078 HG3 :: 1.452 HD2 :: 2.486 HD3 :: 2.662 HE :: 6.997 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 :: 119.029 NE :: 84.684 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.W92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.E17 1.E17 C Shift Assignments>> C :: 179.566 CA :: 58.663 CB :: 29.790 CD1 :: 127.008 CE3 :: 120.385 CZ2 :: 114.465 CZ3 :: 122.231 CH2 :: 124.546 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 :: 8.136 HA :: 4.818 HB2 :: 3.100 HB3 :: 3.195 HD1 :: 6.870 HE1 :: 10.293 HE3 :: 7.429 HZ2 :: 7.489 HZ3 :: 7.065 HH2 :: 7.239 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 :: 118.100 NE1 :: 128.245 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.820 CA :: 66.225 CB :: 37.571 CG1 :: 30.815 CG2 :: 17.000 CD1 :: 14.136 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 :: 8.363 HA :: 3.544 HB :: 1.803 HG12 :: 2.037 HG13 :: 0.743 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 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 :: 120.588 Ave N Shift Values>> N :: 121.46(4.28) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.09 C Shift Assignments>> C :: 179.258 CA :: 59.889 CB :: 32.225 CG :: 24.572 CD :: 29.357 CE :: 41.800 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 :: 8.264 HA :: 3.865 HB2 :: 1.922 HB3 :: 2.022 HG2 :: 1.338 HG3 :: 1.380 HD2 :: 1.624 HD3 :: 1.598 HE2 :: 2.920 HE3 :: 2.911 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 :: 121.687 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.28 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.884 CA :: 59.366 CB :: 29.508 CG :: 36.466 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 :: 8.360 HA :: 4.023 HB2 :: 2.204 HB3 :: 2.158 HG2 :: 2.271 HG3 :: 2.525 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 :: 118.505 Ave N Shift Values>> N :: 120.67(3.48) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.820 CA :: 59.608 CB :: 40.431 CD1 :: 131.423 CD2 :: 131.423 CE1 :: 131.337 CE2 :: 131.395 CZ :: 130.946 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.212 HA :: 4.512 HB2 :: 3.098 HB3 :: 3.469 HD1 :: 7.032 HD2 :: 7.032 HE1 :: 6.958 HE2 :: 6.958 HZ :: 7.064 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.369 Ave N Shift Values>> N :: 120.45(4.18) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.618 CA :: 60.492 CB :: 63.022 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.216 HA :: 3.816 HB2 :: 3.949 HB3 :: 3.984 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 :: 111.969 Ave N Shift Values>> N :: 116.28(3.52) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.18 Q 0.13 I 0.07 M 0.04 C Shift Assignments>> C :: 177.698 CA :: 57.069 CB :: 29.321 CG :: 36.000 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 :: 7.655 HA :: 4.187 HB2 :: 2.044 HB3 :: 2.043 HG2 :: 2.215 HG3 :: 2.473 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 :: 120.588 Ave N Shift Values>> N :: 120.67(3.48) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.18 Q 0.13 I 0.08 M 0.04 C Shift Assignments>> C :: 177.665 CA :: 57.304 CB :: 29.368 CG :: 36.000 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 :: 7.794 HA :: 4.123 HB2 :: 2.043 HB3 :: 2.037 HG2 :: 2.221 HG3 :: 2.438 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 :: 120.067 Ave N Shift Values>> N :: 120.67(3.48) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> C :: 174.464 CA :: 45.305 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.138 HA2 :: 3.865 HA3 :: 3.715 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.802 Ave N Shift Values>> N :: 109.67(3.87) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.14 R 0.03 F 0.01 C Shift Assignments>> C :: 174.204 CA :: 45.036 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.023 HA2 :: 3.865 HA3 :: 3.892 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.032 Ave N Shift Values>> N :: 109.67(3.87) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.627 CA :: 58.194 CB :: 63.538 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.059 HA :: 4.380 HB2 :: 3.893 HB3 :: 3.810 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 :: 115.266 Ave N Shift Values>> N :: 116.28(3.52) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.04 A 0.04 G 0.01 C Shift Assignments>> C :: 177.292 CA :: 55.007 CB :: 42.023 CG :: 27.000 CD1 :: 25.073 CD2 :: 23.170 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 :: 8.287 HA :: 4.301 HB2 :: 1.585 HB3 :: 1.523 HG :: 1.582 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 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 :: 123.596 Ave N Shift Values>> N :: 121.86(3.9) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 Q 0.17 K 0.16 M 0.1 I 0.03 C Shift Assignments>> CA :: 56.518 CB :: 29.837 CG :: 35.783 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 :: 8.216 HA :: 4.126 HB2 :: 1.809 HB3 :: 1.870 HG2 :: 2.147 HG3 :: 2.097 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 :: 120.510 Ave N Shift Values>> N :: 120.67(3.48) 1.H105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.18 R 0.16 Q 0.16 W 0.14 E 0.14 K 0.1 M 0.08 C Shift Assignments>> C :: 173.766 CA :: 55.536 CB :: 30.001 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>> HA :: 4.593 HB2 :: 3.124 HB3 :: 3.064 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) 1.H106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 H 0.16 W 0.16 R 0.15 Q 0.15 K 0.1 M 0.06 I 0.01 C Shift Assignments>> CA :: 56.920 CB :: 30.001 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 :: 8.154 HA :: 4.407 HB2 :: 3.184 HB3 :: 3.053 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 :: 125.332 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 497 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 814 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 115 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S9 HB2 = 2.991(S), Expected = 3.88, Std = 0.2500, ChiSquare = 3.7654e-04 1.L55 HB2 = -0.629(S), Expected = 1.61, Std = 0.3400, ChiSquare = 4.5399e-11 1.R81 HG2 = 0.428(S), Expected = 1.57, Std = 0.2700, ChiSquare = 2.3408e-05 1.R81 HD2 = 1.725(S), Expected = 3.12, Std = 0.2400, ChiSquare = 6.1547e-09