Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.P1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.914 CA :: 63.706 CB :: 32.167 CG :: 27.533 CD :: 50.909 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 :: 4.535 HB2 :: 1.919 HB3 :: 2.335 HG2 :: 2.063 HG3 :: 2.023 HD2 :: 3.780 HD3 :: 3.876 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.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.994 CA :: 58.540 CB :: 63.748 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.061 HA :: 4.418 HB2 :: 3.823 HB3 :: 3.876 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 :: 113.055 Ave N Shift Values>> N :: 116.28(3.52) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.17 R 0.14 K 0.14 W 0.13 E 0.13 M 0.06 C Shift Assignments>> C :: 173.417 CA :: 55.304 CB :: 29.547 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 :: 8.410 HA :: 4.735 HB2 :: 3.597 HB3 :: 3.174 HD2 :: 7.278 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 :: 119.062 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 HN Overlap>> 1.S109 1.S109 C Shift Assignments>> C :: 173.602 CA :: 57.005 CB :: 65.989 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.817 HA :: 5.516 HB2 :: 3.897 HB3 :: 3.843 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 :: 113.520 Ave N Shift Values>> N :: 116.28(3.52) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 171.058 CA :: 45.471 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.356 HA2 :: 4.106 HA3 :: 4.270 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.959 Ave N Shift Values>> N :: 109.67(3.87) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 176.831 CA :: 52.745 CB :: 19.380 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.641 HA :: 4.961 HB1 :: 1.555 HB2 :: 1.555 HB3 :: 1.555 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.264 Ave N Shift Values>> N :: 123.23(3.54) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 K 0.17 A 0.06 P 0.02 R 0.01 HN Overlap>> 2.E45 2.E45 C Shift Assignments>> C :: 176.683 CA :: 51.745 CB :: 24.037 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.370 HA :: 4.655 HB1 :: 1.006 HB2 :: 1.006 HB3 :: 1.006 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.937 Ave N Shift Values>> N :: 123.23(3.54) 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 :: 175.310 CA :: 59.952 CB :: 39.687 CG1 :: 29.001 CG2 :: 17.311 CD1 :: 13.691 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 :: 9.349 HA :: 4.995 HB :: 1.578 HG12 :: 1.494 HG13 :: 0.964 HG21 :: 0.610 HG22 :: 0.610 HG23 :: 0.610 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 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 :: 125.430 Ave N Shift Values>> N :: 121.46(4.28) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 173.925 CA :: 56.271 CB :: 39.567 CD1 :: 132.032 CD2 :: 132.032 CE1 :: 129.881 CE2 :: 129.881 CZ :: 128.256 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 :: 8.450 HA :: 4.292 HB2 :: 2.497 HB3 :: 2.637 HD1 :: 6.215 HD2 :: 6.215 HE1 :: 6.602 HE2 :: 6.602 HZ :: 6.357 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 :: 128.906 Ave N Shift Values>> N :: 120.45(4.18) 1.E10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.33 Q 0.33 E 0.13 R 0.12 I 0.06 C Shift Assignments>> C :: 175.157 CA :: 56.779 CB :: 26.449 CG :: 34.886 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 :: 8.749 HA :: 3.204 HB2 :: 1.244(S) HB3 :: 1.583 HG2 :: 1.111(S) HG3 :: 0.606(S) 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 :: 126.509 Ave N Shift Values>> N :: 120.67(3.48) 1.K11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> K 0.63 R 0.35 C Shift Assignments>> C :: 175.543 CA :: 58.554 CB :: 30.177 CG :: 25.704 CD :: 29.138 CE :: 41.902 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 :: 7.931 HA :: 3.403 HB2 :: 1.954 HB3 :: 2.174 HG2 :: 1.190 HG3 :: 1.190 HD2 :: 1.627 HD3 :: 1.557 HE2 :: 2.889 HE3 :: 2.888 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 :: 105.729(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.120 CA :: 61.772 CB :: 34.281 CG1 :: 22.551 CG2 :: 22.205 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 :: 7.901 HA :: 4.417 HB :: 2.546 HG11 :: 1.484 HG12 :: 1.484 HG13 :: 1.484 HG21 :: 1.132 HG22 :: 1.132 HG23 :: 1.132 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 :: 123.753 Ave N Shift Values>> N :: 121.14(4.54) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.339 CA :: 59.813 CB :: 63.763 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.876 HA :: 4.627 HB2 :: 3.989 HB3 :: 4.033 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 :: 121.941 Ave N Shift Values>> N :: 116.28(3.52) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 172.742 CA :: 46.520 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.277 HA2 :: 4.178 HA3 :: 4.345 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.199 Ave N Shift Values>> N :: 109.67(3.87) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 175.370 CA :: 59.320 CB :: 41.606 CG1 :: 27.413 CG2 :: 17.369 CD1 :: 11.981 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 :: 8.298 HA :: 4.810 HB :: 1.632 HG12 :: 1.095 HG13 :: 1.368 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 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 :: 123.240 Ave N Shift Values>> N :: 121.46(4.28) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.02 C Shift Assignments>> C :: 173.119 CA :: 59.755 CB :: 41.868 CG1 :: 29.805 CG2 :: 16.567 CD1 :: 13.926 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 :: 9.428 HA :: 5.000 HB :: 1.627 HG12 :: 0.779 HG13 :: 1.543 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 HD11 :: 0.134 HD12 :: 0.134 HD13 :: 0.134 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 :: 127.865 Ave N Shift Values>> N :: 121.46(4.28) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 L 0.33 K 0.01 C Shift Assignments>> C :: 176.203 CA :: 51.391 CB :: 22.190 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.966 HA :: 5.074 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.742 Ave N Shift Values>> N :: 123.23(3.54) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 174.306 CA :: 60.500 CB :: 39.147 CG1 :: 28.753 CG2 :: 18.060 CD1 :: 14.865 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 :: 8.672 HA :: 4.621 HB :: 1.800 HG12 :: 1.535 HG13 :: 0.877 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 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 :: 122.269 Ave N Shift Values>> N :: 121.46(4.28) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.25 L 0.06 F 0.04 Y 0.04 C Shift Assignments>> C :: 174.730 CA :: 51.729 CB :: 39.496 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 :: 9.350 HA :: 5.062 HB2 :: 3.107 HB3 :: 2.734 HD21 :: 6.844 HD22 :: 7.688 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 :: 127.575 ND2 :: 110.812 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.2 I 0.16 K 0.01 C Shift Assignments>> C :: 176.091 CA :: 55.802 CB :: 30.672 CG :: 38.538 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 :: 9.037 HA :: 4.677 HB2 :: 2.394 HB3 :: 2.000 HG2 :: 2.080 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 :: 121.547 Ave N Shift Values>> N :: 120.67(3.48) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 F 0.18 Y 0.15 N 0.09 K 0.06 I 0.01 C Shift Assignments>> C :: 175.651 CA :: 55.499 CB :: 40.550 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 :: 8.706 HA :: 4.629 HB2 :: 2.886 HB3 :: 2.812 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 :: 121.086 Ave N Shift Values>> N :: 120.65(3.86) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 A 0.1 C Shift Assignments>> C :: 173.407 CA :: 59.153 CB :: 34.029 CG1 :: 17.995 CG2 :: 21.240 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 :: 6.819 HA :: 4.316 HB :: 2.005 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 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 :: 113.108 Ave N Shift Values>> N :: 121.14(4.54) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 P 0.02 C Shift Assignments>> CA :: 53.848 CB :: 64.810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.032 HA :: 4.735 HB2 :: 3.733 HB3 :: 3.605 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 :: 115.009 Ave N Shift Values>> N :: 116.28(3.52) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C Shift Assignments>> C :: 174.825 CA :: 62.848 CB :: 34.801 CG :: 26.010 CD :: 49.769 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 :: 4.784 HB2 :: 1.856 HB3 :: 2.208 HG2 :: 1.844 HG3 :: 1.788 HD2 :: 3.480 HD3 :: 3.480 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.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.05 M 0.03 HN Overlap>> 2.V25 2.V25 C Shift Assignments>> C :: 175.878 CA :: 52.608 CB :: 20.454 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.013 HA :: 4.515 HB1 :: 1.545 HB2 :: 1.545 HB3 :: 1.545 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.477 Ave N Shift Values>> N :: 123.23(3.54) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 E 0.19 Q 0.03 C Shift Assignments>> C :: 174.599 CA :: 53.987 CB :: 34.265 CG :: 35.688 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 :: 7.821 HA :: 5.071 HB2 :: 1.803 HB3 :: 1.724 HG2 :: 2.385 HG3 :: 2.016 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 :: 115.417 Ave N Shift Values>> N :: 120.67(3.48) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.16 R 0.01 C Shift Assignments>> C :: 174.704 CA :: 53.757 CB :: 45.646 CG :: 27.265 CD1 :: 27.196 CD2 :: 25.949 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 :: 8.863 HA :: 5.038 HB2 :: 1.656 HB3 :: 1.384 HG :: 1.394 HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 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 :: 124.622 Ave N Shift Values>> N :: 121.86(3.9) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.Q49 1.Q49 C Shift Assignments>> C :: 172.573 CA :: 61.452 CB :: 71.480 CG2 :: 21.893 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 :: 9.276 HA :: 5.152 HB :: 3.956 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 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 :: 121.755 Ave N Shift Values>> N :: 115.42(4.75) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 173.881 CA :: 55.790 CB :: 32.330 CD1 :: 124.496 CZ2 :: 114.833 CH2 :: 124.597 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 :: 9.383 HA :: 5.448 HB2 :: 3.169 HB3 :: 2.821 HD1 :: 6.667 HE1 :: 9.485 HE3 :: 7.293 HZ2 :: 7.641 HZ3 :: 6.882 HH2 :: 7.108 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 :: 128.764 NE1 :: 126.258 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 G 0.26 K 0.16 C Shift Assignments>> C :: 174.712 CA :: 53.468 CB :: 33.818 CG :: 27.324 CD :: 43.328 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 :: 7.579 HA :: 4.807 HB2 :: 1.431 HB3 :: 1.542 HG2 :: 1.443 HG3 :: 1.604 HD2 :: 3.099 HD3 :: 3.036 HE :: 7.113 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 :: 126.417 NE :: 84.731 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.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.360 CA :: 58.070 CB :: 64.272 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.078 HA :: 4.480 HB2 :: 3.877 HB3 :: 3.877 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 :: 118.415 Ave N Shift Values>> N :: 116.28(3.52) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.602 CA :: 66.265 CB :: 68.557 CG2 :: 22.208 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 :: 8.520 HA :: 3.847 HB :: 4.121 HG21 :: 1.225 HG22 :: 1.225 HG23 :: 1.225 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 :: 119.175 Ave N Shift Values>> N :: 115.42(4.75) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.21 N 0.14 F 0.1 Y 0.08 K 0.07 C Shift Assignments>> C :: 177.056 CA :: 54.225 CB :: 40.878 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 :: 8.223 HA :: 4.617 HB2 :: 2.822 HB3 :: 2.717 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 :: 117.286 Ave N Shift Values>> N :: 120.65(3.86) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 173.762 CA :: 45.399 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.914 HA2 :: 4.129 HA3 :: 3.521 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.197 Ave N Shift Values>> N :: 109.67(3.87) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 F 0.12 K 0.1 Y 0.1 N 0.09 R 0.01 C Shift Assignments>> C :: 175.366 CA :: 54.860 CB :: 40.973 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 :: 8.238 HA :: 4.519 HB2 :: 2.751 HB3 :: 2.677 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 :: 118.081 Ave N Shift Values>> N :: 120.65(3.86) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.4 G 0.02 C Shift Assignments>> C :: 174.568 CA :: 55.536 CB :: 35.779 CG :: 25.369 CD :: 29.603 CE :: 42.223 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 :: 7.749 HA :: 4.834 HB2 :: 1.936 HB3 :: 2.202 HG2 :: 1.628 HG3 :: 1.741 HD2 :: 1.993 HD3 :: 1.993 HE2 :: 3.192 HE3 :: 3.193 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 :: 120.362 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.209 CA :: 60.263 CB :: 35.983 CG1 :: 20.927 CG2 :: 20.927 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 :: 8.526 HA :: 5.271 HB :: 2.035 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 121.758 Ave N Shift Values>> N :: 121.14(4.54) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 K 0.22 Q 0.18 R 0.1 H 0.1 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 173.116 CA :: 55.808 CB :: 32.983 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 :: 9.633 HA :: 5.021 HB2 :: 2.833 HB3 :: 2.762 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 :: 126.087 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.102 CA :: 61.637 CB :: 70.716 CG2 :: 21.662 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 :: 8.415 HA :: 5.155 HB :: 3.766 HG21 :: 0.994 HG22 :: 0.994 HG23 :: 0.994 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 :: 124.455 Ave N Shift Values>> N :: 115.42(4.75) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.693 CA :: 60.348 CB :: 34.274 CG1 :: 21.281 CG2 :: 19.966 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 :: 9.387 HA :: 3.953 HB :: 1.836 HG11 :: 0.358 HG12 :: 0.358 HG13 :: 0.358 HG21 :: 0.349 HG22 :: 0.349 HG23 :: 0.349 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 :: 126.066 Ave N Shift Values>> N :: 121.14(4.54) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.424 CA :: 63.744 CB :: 30.951 CG1 :: 22.035 CG2 :: 21.259 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 :: 9.021 HA :: 3.988 HB :: 2.031 HG11 :: 1.018 HG12 :: 1.018 HG13 :: 1.018 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 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 :: 129.775 Ave N Shift Values>> N :: 121.14(4.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 C Shift Assignments>> C :: 176.259 CA :: 58.643 CB :: 40.828 CG :: 27.339 CD1 :: 26.457 CD2 :: 23.006 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 :: 9.147 HA :: 3.973 HB2 :: 1.825 HB3 :: 1.455 HG :: 1.710 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 HD21 :: 0.701 HD22 :: 0.701 HD23 :: 0.701 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 :: 129.645 Ave N Shift Values>> N :: 121.86(3.9) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.263 CA :: 59.620 CB :: 61.543 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.006 HA :: 4.310 HB2 :: 3.883 HB3 :: 3.884 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 :: 110.158 Ave N Shift Values>> N :: 116.28(3.52) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.489 CA :: 62.024 CB :: 69.805 CG2 :: 21.048 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 :: 7.571 HA :: 4.504 HB :: 4.661 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 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 :: 110.206 Ave N Shift Values>> N :: 115.42(4.75) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 I 0.41 C Shift Assignments>> C :: 174.103 CA :: 57.970 CB :: 36.560 CG1 :: 27.081 CG2 :: 19.003 CD1 :: 8.791 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 :: 6.975 HA :: 4.267 HB :: 2.255 HG12 :: 1.739 HG13 :: 1.099 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 HD11 :: 0.577 HD12 :: 0.577 HD13 :: 0.577 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 :: 120.322 Ave N Shift Values>> N :: 121.46(4.28) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.33 R 0.15 D 0.05 F 0.03 Y 0.01 HN Overlap>> 1.L62 1.L62 C Shift Assignments>> C :: 175.431 CA :: 54.833 CB :: 44.535 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 :: 9.262 HA :: 4.711 HB2 :: 2.513 HB3 :: 2.434 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 :: 126.492 Ave N Shift Values>> N :: 120.65(3.86) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.25 G 0.03 A 0.01 C Shift Assignments>> C :: 172.673 CA :: 54.821 CB :: 36.609 CG :: 24.543 CD :: 29.643 CE :: 42.061 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 :: 7.572 HA :: 4.707 HB2 :: 1.735 HB3 :: 1.616 HG2 :: 1.289 HG3 :: 1.289 HD2 :: 1.693 HD3 :: 1.611 HE2 :: 2.927 HE3 :: 2.876 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 :: 112.726 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.13 R 0.01 A 0.01 C Shift Assignments>> C :: 173.965 CA :: 53.020 CB :: 45.564 CG :: 27.620 CD1 :: 24.503 CD2 :: 27.103 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 :: 9.013 HA :: 5.051 HB2 :: 1.187 HB3 :: 1.875 HG :: 1.464 HD11 :: 1.013 HD12 :: 1.013 HD13 :: 1.013 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 :: 124.840 Ave N Shift Values>> N :: 121.86(3.9) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.88 Q 0.08 E 0.03 HN Overlap>> 1.T28 1.T28 C Shift Assignments>> C :: 174.700 CA :: 53.599 CB :: 34.026 CG :: 33.756 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 :: 9.260 HA :: 5.518 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 2.442 HG3 :: 1.912 HE21 :: 7.810 HE22 :: 6.939 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 :: 121.648 NE2 :: 112.398 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 P 0.29 K 0.11 A 0.05 R 0.01 C Shift Assignments>> C :: 177.167 CA :: 50.592 CB :: 24.363 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.286 HA :: 5.747(S) HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.020 Ave N Shift Values>> N :: 123.23(3.54) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 S 0.11 C Shift Assignments>> CA :: 59.228 CB :: 67.954 CG2 :: 23.448 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 :: 8.340 HA :: 4.735 HB :: 4.237 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 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 :: 114.222 Ave N Shift Values>> N :: 115.42(4.75) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.621 CA :: 62.428 CB :: 32.719 CG :: 27.537 CD :: 51.275 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 :: 4.570 HB2 :: 2.012 HB3 :: 2.402 HG2 :: 2.011 HG3 :: 1.957 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.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.02 C Shift Assignments>> C :: 177.578 CA :: 54.820 CB :: 17.857 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.109 HA :: 4.055 HB1 :: 1.444 HB2 :: 1.444 HB3 :: 1.444 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.566 Ave N Shift Values>> N :: 123.23(3.54) 1.S54 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 :: 58.116 CB :: 63.021 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.595 HA :: 4.235 HB2 :: 4.055 HB3 :: 3.804 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 :: 107.184 Ave N Shift Values>> N :: 116.28(3.52) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.833 CA :: 57.510 CB :: 64.121 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.613 HA :: 4.484 HB2 :: 3.953 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 :: 117.098 Ave N Shift Values>> N :: 116.28(3.52) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.15 I 0.11 Q 0.09 M 0.04 C Shift Assignments>> C :: 177.852 CA :: 57.612 CB :: 29.424 CG :: 36.199 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 :: 8.849 HA :: 4.129 HB2 :: 2.185 HB3 :: 1.987 HG2 :: 2.282 HG3 :: 2.394 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 :: 125.258 Ave N Shift Values>> N :: 120.67(3.48) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.19 G 0.01 C Shift Assignments>> C :: 175.699 CA :: 55.645 CB :: 33.270 CG :: 25.286 CD :: 28.758 CE :: 42.052 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 :: 8.060 HA :: 4.299 HB2 :: 1.753 HB3 :: 1.660 HG2 :: 1.454 HG3 :: 1.394 HD2 :: 1.570 HD3 :: 1.632 HE2 :: 2.944 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 :: 119.058 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 I 0.01 V 0.01 C Shift Assignments>> C :: 174.213 CA :: 55.170 CB :: 35.330 CE :: 19.120 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 :: 8.828 HA :: 4.345 HB2 :: 2.448 HB3 :: 2.133 HG2 :: 2.285 HG3 :: 2.038 HE1 :: 2.138 HE2 :: 2.138 HE3 :: 2.138 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 :: 123.967 Ave N Shift Values>> N :: 120.09(3.57) 1.M59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 HN Overlap>> 2.N15 2.N15 C Shift Assignments>> C :: 174.521 CA :: 55.038 CB :: 39.549 CG :: 32.674 CE :: 17.777 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 :: 8.528 HA :: 5.905 HB2 :: 1.993 HB3 :: 2.294 HG2 :: 2.859 HG3 :: 2.389 HE1 :: 1.873 HE2 :: 1.873 HE3 :: 1.873 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 :: 120.929 Ave N Shift Values>> N :: 120.09(3.57) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.42 A 0.04 C Shift Assignments>> C :: 175.763 CA :: 53.185 CB :: 47.561 CG :: 26.826 CD1 :: 25.925 CD2 :: 24.671 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 :: 9.052 HA :: 5.665 HB2 :: 1.900 HB3 :: 1.660 HG :: 1.936 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 1.104 HD22 :: 1.104 HD23 :: 1.104 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 :: 117.623 Ave N Shift Values>> N :: 121.86(3.9) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 G 0.38 R 0.22 C Shift Assignments>> C :: 173.286 CA :: 54.931 CB :: 35.335 CD :: 43.280 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 :: 9.180 HA :: 5.471 HB2 :: 1.345 HB3 :: 0.956 HG2 :: 1.463 HG3 :: 1.463 HD2 :: 3.107 HD3 :: 3.107 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 :: 120.407 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.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.14 L 0.08 K 0.05 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 175.447 CA :: 54.408 CB :: 43.433 CG :: 29.255 CD1 :: 27.519 CD2 :: 25.494 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 :: 9.203 HA :: 5.198 HB2 :: 1.739 HB3 :: 1.853 HG :: 1.847 HD11 :: 1.030 HD12 :: 1.030 HD13 :: 1.030 HD21 :: 0.957 HD22 :: 0.957 HD23 :: 0.957 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 :: 126.471 Ave N Shift Values>> N :: 121.86(3.9) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.525 CA :: 59.676 CB :: 38.705 CG1 :: 27.281 CG2 :: 17.446 CD1 :: 11.729 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 :: 8.983 HA :: 4.697 HB :: 1.904 HG12 :: 1.263 HG13 :: 0.983 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 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 :: 123.282 Ave N Shift Values>> N :: 121.46(4.28) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 172.300 CA :: 45.662 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.372 HA2 :: 3.962 HA3 :: 4.006 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.647 Ave N Shift Values>> N :: 109.67(3.87) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.42 C Shift Assignments>> C :: 177.404 CA :: 56.501 CB :: 34.418 CG :: 26.113 CD :: 29.623 CE :: 42.045 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 :: 8.289 HA :: 4.306 HB2 :: 1.882 HB3 :: 1.610 HG2 :: 1.261 HG3 :: 1.416 HD2 :: 1.691 HD3 :: 1.610 HE2 :: 2.935 HE3 :: 2.865 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 :: 119.107 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I18 1.I18 C Shift Assignments>> C :: 175.253 CA :: 62.136 CB :: 33.284 CG1 :: 21.048 CG2 :: 21.274 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 :: 8.607 HA :: 4.079 HB :: 1.964 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 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 :: 122.231 Ave N Shift Values>> N :: 121.14(4.54) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.22 L 0.19 F 0.07 Y 0.05 K 0.05 C Shift Assignments>> C :: 176.601 CA :: 53.058 CB :: 40.872 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 :: 8.457 HA :: 4.699 HB2 :: 2.829 HB3 :: 2.584 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 :: 125.538 Ave N Shift Values>> N :: 120.65(3.86) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.12 I 0.11 Q 0.07 M 0.06 C Shift Assignments>> C :: 177.344 CA :: 57.635 CB :: 29.680 CG :: 36.350 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 :: 8.712 HA :: 4.124 HB2 :: 2.147 HB3 :: 1.952 HG2 :: 2.209 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 :: 124.433 Ave N Shift Values>> N :: 120.67(3.48) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.180 CA :: 60.146 CB :: 63.383 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.467 HA :: 4.328 HB2 :: 3.989 HB3 :: 3.934 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 :: 115.596 Ave N Shift Values>> N :: 116.28(3.52) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.26 G 0.01 C Shift Assignments>> C :: 176.165 CA :: 55.410 CB :: 32.500 CG :: 24.926 CD :: 28.773 CE :: 42.124 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 :: 7.675 HA :: 4.406 HB2 :: 1.935 HB3 :: 1.759 HG2 :: 1.355 HG3 :: 1.466 HD2 :: 1.672 HD3 :: 1.670 HE2 :: 2.997 HE3 :: 2.997 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 :: 121.738 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 176.134 CA :: 56.605 CB :: 33.283 CG :: 25.112 CD :: 29.287 CE :: 42.024 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 :: 7.739 HA :: 4.408 HB2 :: 1.757 HB3 :: 1.804 HG2 :: 1.374 HG3 :: 1.467 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.919 HE3 :: 2.919 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 :: 121.087 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.12 G 0.11 HN Overlap>> 2.E12 2.E12 C Shift Assignments>> C :: 175.217 CA :: 55.041 CB :: 32.354 CG :: 26.968 CD :: 43.279 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 :: 8.402 HA :: 4.584 HB2 :: 1.760 HB3 :: 1.881 HG2 :: 1.568 HG3 :: 1.590 HD2 :: 3.198 HD3 :: 3.198 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 :: 122.147 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.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 176.966 CA :: 55.365 CB :: 34.631 CG :: 25.230 CD :: 29.169 CE :: 41.959 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 :: 8.386 HA :: 4.899 HB2 :: 1.722 HB3 :: 1.722 HG2 :: 1.417 HG3 :: 1.308 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.964 HE3 :: 2.963 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 :: 121.242 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.21 L 0.2 F 0.06 K 0.05 Y 0.04 C Shift Assignments>> C :: 177.401 CA :: 52.840 CB :: 41.008 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 :: 8.559 HA :: 4.651 HB2 :: 3.170 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 :: 122.007 Ave N Shift Values>> N :: 120.65(3.86) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 Y 0.18 F 0.15 D 0.11 E 0.06 L 0.03 M 0.03 I 0.02 C Shift Assignments>> C :: 175.944 CA :: 54.877 CB :: 38.110 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 :: 8.414 HA :: 4.535 HB2 :: 2.863 HB3 :: 2.863 HD21 :: 6.931 HD22 :: 7.630 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 :: 116.263 ND2 :: 113.106 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.12 K 0.12 Q 0.11 I 0.03 HN Overlap>> 1.D115 1.D115 C Shift Assignments>> C :: 176.512 CA :: 56.166 CB :: 30.010 CG :: 36.132 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 :: 8.133 HA :: 4.393 HB2 :: 2.220 HB3 :: 1.985 HG2 :: 2.275 HG3 :: 2.269 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 :: 118.940 Ave N Shift Values>> N :: 120.67(3.48) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 174.193 CA :: 45.287 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.083 HA2 :: 4.199 HA3 :: 3.665 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.056 Ave N Shift Values>> N :: 109.67(3.87) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.21 F 0.07 Y 0.06 L 0.05 C Shift Assignments>> C :: 175.006 CA :: 52.827 CB :: 38.996 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 :: 8.537 HA :: 4.742 HB2 :: 2.856 HB3 :: 2.659 HD21 :: 8.226 HD22 :: 7.049 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 :: 119.896 ND2 :: 117.172 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.16 K 0.09 Q 0.09 I 0.04 C Shift Assignments>> C :: 176.268 CA :: 56.610 CB :: 30.307 CG :: 36.250 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 :: 8.674 HA :: 4.471 HB2 :: 1.932 HB3 :: 1.932 HG2 :: 2.146 HG3 :: 2.300 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 :: 121.648 Ave N Shift Values>> N :: 120.67(3.48) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.537 CA :: 61.465 CB :: 33.553 CG1 :: 20.908 CG2 :: 20.481 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 :: 8.554 HA :: 4.248 HB :: 1.960 HG11 :: 0.860 HG12 :: 0.860 HG13 :: 0.860 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 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 :: 124.083 Ave N Shift Values>> N :: 121.14(4.54) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 M 0.03 C Shift Assignments>> CA :: 59.605 CB :: 32.876 CG2 :: 21.177 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 :: 8.390 HA :: 4.427 HB :: 2.035 HG11 :: 0.972 HG12 :: 0.972 HG13 :: 0.972 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 126.640 Ave N Shift Values>> N :: 121.14(4.54) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.034 CA :: 62.710 CB :: 32.352 CG :: 27.574 CD :: 51.159 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 :: 4.427 HB2 :: 1.869 HB3 :: 2.274 HG2 :: 2.039 HG3 :: 1.951 HD2 :: 3.632 HD3 :: 3.853 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.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.11 G 0.01 HN Overlap>> 2.R7 2.R7 C Shift Assignments>> CA :: 53.856 CB :: 32.330 CG :: 24.869 CE :: 41.991 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 :: 8.308 HA :: 4.548 HB2 :: 1.678 HB3 :: 1.794 HG2 :: 1.474 HG3 :: 1.548 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.993 HE3 :: 2.993 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 :: 121.719 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.773 CA :: 62.556 CB :: 32.618 CG :: 27.277 CD :: 50.502 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 :: 4.296 HB2 :: 2.208 HB3 :: 1.789 HG2 :: 1.906 HG3 :: 1.906 HD2 :: 3.752 HD3 :: 3.616 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.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.3 E 0.14 M 0.12 R 0.01 HN Overlap>> 2.D46 2.D46 C Shift Assignments>> C :: 174.940 CA :: 56.062 CB :: 29.730 CG :: 34.097 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 :: 8.464 HA :: 4.141 HB2 :: 1.838 HB3 :: 1.936 HG2 :: 2.360 HG3 :: 2.202 HE21 :: 6.999 HE22 :: 7.610 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 :: 121.395 NE2 :: 112.636 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.25 K 0.1 C Shift Assignments>> C :: 175.052 CA :: 54.534 CB :: 33.333 CG :: 27.326 CD :: 43.648 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 :: 8.248 HA :: 5.127 HB2 :: 1.661 HB3 :: 1.335 HG2 :: 1.601 HG3 :: 1.359 HD2 :: 2.979 HD3 :: 2.960 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 :: 121.035 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.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.69 W 0.28 Y 0.02 C Shift Assignments>> C :: 173.558 CA :: 54.192 CB :: 33.054 CD2 :: 118.420 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 :: 8.659 HA :: 4.682 HB2 :: 3.256 HB3 :: 2.703 HD2 :: 6.697 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 :: 120.780 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.43 C Shift Assignments>> C :: 173.297 CA :: 54.835 CB :: 35.794 CG :: 32.482 CE :: 17.724 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 :: 8.710 HA :: 5.283 HB2 :: 1.986 HB3 :: 1.558 HG2 :: 2.349 HG3 :: 2.412 HE1 :: 1.974 HE2 :: 1.974 HE3 :: 1.974 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 :: 126.780 Ave N Shift Values>> N :: 120.09(3.57) 1.F89 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 Y 0.39 C Shift Assignments>> C :: 174.410 CA :: 56.379 CB :: 44.189 CD1 :: 131.495 CD2 :: 131.495 CE1 :: 127.896 CE2 :: 127.896 CZ :: 117.693(S) 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 :: 8.969 HA :: 5.195 HB2 :: 2.646 HB3 :: 2.573 HD1 :: 6.817 HD2 :: 6.817 HE1 :: 6.595 HE2 :: 6.595 HZ :: 6.165 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 :: 122.543 Ave N Shift Values>> N :: 120.45(4.18) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.030 CA :: 56.771 CB :: 64.961 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.657 HA :: 5.696 HB2 :: 3.834 HB3 :: 3.724 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 :: 116.192 Ave N Shift Values>> N :: 116.28(3.52) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 G 0.28 C Shift Assignments>> C :: 174.442 CA :: 57.425 CB :: 43.392 CD1 :: 132.850 CD2 :: 132.850 CE1 :: 130.994 CE2 :: 130.994 CZ :: 127.491 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 :: 9.001 HA :: 4.887 HB2 :: 3.322 HB3 :: 2.828 HD1 :: 7.487 HD2 :: 7.487 HE1 :: 7.101 HE2 :: 7.101 HZ :: 6.811 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 :: 120.710 Ave N Shift Values>> N :: 120.45(4.18) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.31 L 0.09 F 0.05 Y 0.04 C Shift Assignments>> C :: 174.835 CA :: 52.251 CB :: 39.889 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 :: 9.093 HA :: 5.107 HB2 :: 2.914 HB3 :: 2.913 HD21 :: 6.792 HD22 :: 7.592 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 :: 115.967 ND2 :: 111.267 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.26 K 0.11 N 0.1 F 0.05 R 0.04 Y 0.03 C Shift Assignments>> C :: 174.524 CA :: 53.013 CB :: 41.761 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 :: 7.252 HA :: 4.922 HB2 :: 2.909 HB3 :: 2.845 HD21 :: 7.893 HD22 :: 7.192 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 :: 118.401 ND2 :: 113.937 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.21 G 0.03 C Shift Assignments>> C :: 176.797 CA :: 59.483 CB :: 30.129 CG :: 26.754 CD :: 42.569 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 :: 9.309 HA :: 3.865 HB2 :: 2.033 HB3 :: 1.817 HG2 :: 1.784 HG3 :: 1.650 HD2 :: 3.113 HD3 :: 3.392 HE :: 7.367 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 :: 129.175 NE :: 83.196 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.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.735 CA :: 66.430 CB :: 68.357 CG2 :: 21.984 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 :: 7.973 HA :: 4.021 HB :: 4.345 HG21 :: 1.290 HG22 :: 1.290 HG23 :: 1.290 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 :: 115.594 Ave N Shift Values>> N :: 115.42(4.75) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.561 CA :: 66.125 CB :: 32.201 CG1 :: 22.314 CG2 :: 21.461 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 :: 7.565 HA :: 3.783 HB :: 2.403 HG11 :: 1.284 HG12 :: 1.284 HG13 :: 1.284 HG21 :: 1.236 HG22 :: 1.236 HG23 :: 1.236 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 :: 121.833 Ave N Shift Values>> N :: 121.14(4.54) 1.M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 V 0.18 I 0.06 C Shift Assignments>> C :: 177.257 CA :: 59.753 CB :: 32.515 CE :: 17.700 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 :: 7.336 HA :: 4.551 HB2 :: 2.296 HB3 :: 1.976 HG2 :: 2.320 HG3 :: 1.920 HE1 :: 2.069 HE2 :: 2.069 HE3 :: 2.069 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 :: 117.429 Ave N Shift Values>> N :: 120.09(3.57) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.33 I 0.1 D 0.09 L 0.08 N 0.02 C Shift Assignments>> C :: 178.771 CA :: 57.604 CB :: 39.664 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 :: 8.712 HA :: 4.315 HB2 :: 2.755 HB3 :: 2.591 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 :: 118.159 Ave N Shift Values>> N :: 120.65(3.86) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.25 N 0.14 D 0.1 I 0.06 E 0.05 L 0.04 M 0.02 HN Overlap>> 1.D113 1.D113 C Shift Assignments>> C :: 178.232 CA :: 56.300 CB :: 38.448 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 :: 8.084 HA :: 4.480 HB2 :: 2.859 HB3 :: 3.059 HD21 :: 7.430 HD22 :: 6.949 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 :: 120.354 ND2 :: 111.554 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.463 CA :: 62.773 CB :: 35.467 CG1 :: 28.212 CG2 :: 17.395 CD1 :: 9.304 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 :: 8.017 HA :: 3.637 HB :: 1.946 HG12 :: 1.665 HG13 :: 1.291 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 HD11 :: 0.540 HD12 :: 0.540 HD13 :: 0.540 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 :: 120.990 Ave N Shift Values>> N :: 121.46(4.28) 1.K101 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 R 0.15 G 0.01 A 0.01 C Shift Assignments>> C :: 177.365 CA :: 60.636 CB :: 32.991 CG :: 19.142(S) CD :: 29.259 CE :: 41.026 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 :: 8.944 HA :: 3.635 HB2 :: 1.913 HB3 :: 2.148 HG2 :: 0.773 HG3 :: 0.887 HD2 :: 1.767 HD3 :: 1.539 HE2 :: 2.908 HE3 :: 2.856 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 :: 120.814 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 C Shift Assignments>> C :: 178.925 CA :: 58.720 CB :: 32.299 CG :: 32.150 CE :: 16.904 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 :: 8.123 HA :: 4.209 HB2 :: 2.260 HB3 :: 2.159 HG2 :: 2.739 HG3 :: 2.645 HE1 :: 2.095 HE2 :: 2.095 HE3 :: 2.095 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 :: 116.514 Ave N Shift Values>> N :: 120.09(3.57) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.474 CA :: 66.489 CB :: 67.864 CG2 :: 22.262 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 :: 7.768 HA :: 3.882 HB :: 3.975 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 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 :: 118.583 Ave N Shift Values>> N :: 115.42(4.75) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 R 0.32 G 0.03 K 0.01 HN Overlap>> 2.N18 2.N18 C Shift Assignments>> C :: 177.935 CA :: 57.976 CB :: 42.322 CG :: 26.621 CD1 :: 24.658 CD2 :: 27.055 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 :: 8.537 HA :: 3.882 HB2 :: 1.661 HB3 :: 1.661 HG :: 1.930 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 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 :: 119.575 Ave N Shift Values>> N :: 121.86(3.9) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 Q 0.33 R 0.1 E 0.04 I 0.04 M 0.03 P 0.01 C Shift Assignments>> C :: 178.507 CA :: 59.740 CB :: 28.639 CG :: 33.421 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 :: 8.736 HA :: 3.709 HB2 :: 2.390 HB3 :: 1.919 HG2 :: 2.420 HG3 :: 2.197 HE21 :: 6.787 HE22 :: 7.869 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 :: 119.463 NE2 :: 111.303 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.37 E 0.09 R 0.08 I 0.04 M 0.02 C Shift Assignments>> C :: 178.454 CA :: 59.018 CB :: 28.452 CG :: 33.901 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 :: 7.689 HA :: 3.976 HB2 :: 2.320 HB3 :: 2.172 HG2 :: 2.402 HG3 :: 2.603 HE21 :: 7.370 HE22 :: 6.820 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 :: 118.984 NE2 :: 111.272 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.492 CA :: 65.442 CB :: 39.495 CG1 :: 28.816 CG2 :: 18.758 CD1 :: 15.857 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 :: 7.910 HA :: 3.463 HB :: 1.603 HG12 :: 1.906 HG13 :: 0.892 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 HD11 :: 0.628 HD12 :: 0.628 HD13 :: 0.628 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 :: 119.928 Ave N Shift Values>> N :: 121.46(4.28) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.625 CA :: 65.579 CB :: 38.252 CG1 :: 29.974 CG2 :: 17.294 CD1 :: 15.461 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 :: 8.767 HA :: 3.759 HB :: 1.804 HG12 :: 1.231 HG13 :: 1.800 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 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 :: 117.958 Ave N Shift Values>> N :: 121.46(4.28) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S4 1.S4 C Shift Assignments>> C :: 175.966 CA :: 62.205 CB :: 63.094 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.797 HA :: 4.271 HB2 :: 3.893 HB3 :: 3.973 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 :: 113.450 Ave N Shift Values>> N :: 116.28(3.52) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.24 K 0.01 L 0.01 C Shift Assignments>> C :: 179.056 CA :: 58.820 CB :: 29.799 CG :: 27.276 CD :: 43.852 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 :: 7.450 HA :: 4.119 HB2 :: 1.751 HB3 :: 1.751 HG2 :: 1.708 HG3 :: 1.537 HD2 :: 3.155 HD3 :: 3.046 HE :: 7.076 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 :: 120.739 NE :: 84.757 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.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.853 CA :: 58.613 CB :: 37.308 CD1 :: 132.218 CD2 :: 132.218 CE1 :: 117.885 CE2 :: 117.885 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 :: 7.558 HA :: 4.706 HB2 :: 3.377 HB3 :: 3.129 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 6.712 HE2 :: 6.712 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 :: 117.972 Ave N Shift Values>> N :: 120.52(4.2) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 G 0.01 C Shift Assignments>> C :: 177.893 CA :: 57.589 CB :: 32.603 CG :: 25.121 CD :: 28.922 CE :: 42.110 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 :: 8.080 HA :: 4.381 HB2 :: 2.026 HB3 :: 1.971 HG2 :: 1.748 HG3 :: 1.622 HD2 :: 1.785 HD3 :: 1.680 HE2 :: 3.080 HE3 :: 3.010 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 :: 120.615 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 F 0.15 Y 0.12 K 0.1 N 0.08 HN Overlap>> 1.N99 1.N99 C Shift Assignments>> C :: 176.950 CA :: 55.263 CB :: 40.891 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 :: 8.191 HA :: 4.644 HB2 :: 2.810 HB3 :: 2.810 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 :: 120.325 Ave N Shift Values>> N :: 120.65(3.86) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 178.055 CA :: 53.174 CB :: 19.100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.900 HA :: 4.348 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.906 Ave N Shift Values>> N :: 123.23(3.54) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.25 K 0.17 F 0.11 Y 0.08 N 0.05 R 0.03 HN Overlap>> 1.E76 1.E76 C Shift Assignments>> C :: 177.090 CA :: 54.948 CB :: 41.469 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 :: 8.119 HA :: 4.651 HB2 :: 2.810 HB3 :: 2.761 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 :: 118.919 Ave N Shift Values>> N :: 120.65(3.86) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.366 CA :: 45.802 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.217 HA2 :: 4.003 HA3 :: 4.003 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.816 Ave N Shift Values>> N :: 109.67(3.87) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.24 F 0.08 Y 0.07 L 0.07 C Shift Assignments>> C :: 175.359 CA :: 53.229 CB :: 39.193 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 :: 8.317 HA :: 4.852 HB2 :: 2.822 HB3 :: 2.900 HD21 :: 7.663 HD22 :: 6.941 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 :: 118.871 ND2 :: 113.528 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.789 CA :: 58.410 CB :: 63.939 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.329 HA :: 4.557 HB2 :: 3.931 HB3 :: 3.931 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 :: 116.555 Ave N Shift Values>> N :: 116.28(3.52) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.007 CB :: 64.719 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.016 HA :: 4.306 HB2 :: 3.875 HB3 :: 3.875 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 :: 123.353 Ave N Shift Values>> N :: 116.28(3.52) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.53 Y 0.24 F 0.2 E 0.01 C Shift Assignments>> C :: 176.117 CA :: 61.194 CB :: 38.518 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) 2.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 176.764 CA :: 55.212 CB :: 42.369 CG :: 27.089 CD1 :: 24.882 CD2 :: 23.922 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 :: 8.243 HA :: 4.372 HB2 :: 1.685 HB3 :: 1.685 HG :: 1.685 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 HD21 :: 0.967 HD22 :: 0.967 HD23 :: 0.967 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 :: 126.349 Ave N Shift Values>> N :: 121.86(3.9) 2.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.12 K 0.1 Q 0.08 I 0.06 C Shift Assignments>> C :: 176.413 CA :: 56.974 CB :: 30.123 CG :: 36.330 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 :: 8.640 HA :: 4.314 HB2 :: 2.007 HB3 :: 2.112 HG2 :: 2.338 HG3 :: 2.338 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 :: 123.191 Ave N Shift Values>> N :: 120.67(3.48) 2.R7 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.79 G 0.1 K 0.09 HN Overlap>> 1.K83 1.K83 C Shift Assignments>> C :: 176.494 CA :: 56.161 CB :: 30.988 CG :: 27.089 CD :: 43.331 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 :: 8.307 HA :: 4.372 HB2 :: 1.825 HB3 :: 1.915 HG2 :: 1.685 HG3 :: 1.685 HD2 :: 3.254 HD3 :: 3.254 HE :: 7.272 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 :: 121.703 NE :: 124.512(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.12 K 0.1 Q 0.08 I 0.06 C Shift Assignments>> C :: 176.799 CA :: 56.974 CB :: 30.123 CG :: 36.330 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 :: 8.553 HA :: 4.314 HB2 :: 2.007 HB3 :: 2.112 HG2 :: 2.338 HG3 :: 2.338 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 :: 122.357 Ave N Shift Values>> N :: 120.67(3.48) 2.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.720 CA :: 58.679 CB :: 63.770 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.326 HA :: 4.444 HB2 :: 3.924 HB3 :: 3.924 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 :: 116.353 Ave N Shift Values>> N :: 116.28(3.52) 2.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 E 0.16 W 0.16 R 0.16 Q 0.14 K 0.08 M 0.07 I 0.01 C Shift Assignments>> CA :: 56.974 CB :: 30.196 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 :: 8.430 HA :: 4.314 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 :: 122.770 Ave N Shift Values>> N :: 120.67(3.48) 2.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 176.683 CA :: 56.443 CB :: 33.225 CG :: 24.739 CD :: 29.147 CE :: 42.170 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) 2.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.14 K 0.09 Q 0.09 I 0.04 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 176.624 CA :: 56.722 CB :: 30.229 CG :: 36.243 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 :: 8.459 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 :: 122.132 Ave N Shift Values>> N :: 120.67(3.48) 2.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.620 CA :: 58.265 CB :: 63.885 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.371 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 :: 117.099 Ave N Shift Values>> N :: 116.28(3.52) 2.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.407 CA :: 58.293 CB :: 63.846 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.409 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 :: 117.859 Ave N Shift Values>> N :: 116.28(3.52) 2.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.24 F 0.09 Y 0.08 L 0.07 HN Overlap>> 1.M59 1.M59 C Shift Assignments>> CA :: 53.414 CB :: 39.171 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 :: 8.496 HD21 :: 6.921 HD22 :: 7.640 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 :: 120.907 ND2 :: 113.243 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.17 R 0.16 E 0.16 W 0.16 Q 0.14 K 0.08 M 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 176.309 CA :: 56.864 CB :: 30.300 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) 2.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.21 F 0.08 Y 0.08 L 0.06 HN Overlap>> 1.L104 1.L104 C Shift Assignments>> CA :: 53.394 CB :: 38.994 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 :: 8.454 HD21 :: 6.936 HD22 :: 7.639 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 :: 119.502 ND2 :: 112.704 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.31 L 0.24 K 0.13 F 0.1 N 0.08 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.172 CA :: 54.605 CB :: 41.226 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 2.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.13 F 0.11 Y 0.09 K 0.08 C Shift Assignments>> C :: 176.486 CA :: 54.452 CB :: 40.864 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 :: 8.259 HA :: 4.567 HB2 :: 2.742 HB3 :: 2.659 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 :: 120.495 Ave N Shift Values>> N :: 120.65(3.86) 2.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.06 G 0.01 A 0.01 C Shift Assignments>> C :: 177.967 CA :: 55.826 CB :: 42.173 CG :: 27.126 CD1 :: 24.942 CD2 :: 23.681 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 :: 8.038 HA :: 4.231 HB2 :: 1.707 HB3 :: 1.601 HG :: 1.652 HD11 :: 0.929 HD12 :: 0.929 HD13 :: 0.929 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 121.642 Ave N Shift Values>> N :: 121.86(3.9) 2.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.16 Q 0.14 M 0.08 I 0.06 C Shift Assignments>> C :: 176.916 CA :: 57.278 CB :: 29.760 CG :: 35.909 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 :: 8.294 HA :: 4.202 HB2 :: 2.061 HB3 :: 2.003 HG2 :: 2.226 HG3 :: 2.290 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 :: 120.920 Ave N Shift Values>> N :: 120.67(3.48) 2.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A25 1.A25 C Shift Assignments>> C :: 176.560 CA :: 63.066 CB :: 32.388 CG1 :: 21.229 CG2 :: 21.241 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 :: 7.954 HA :: 4.037 HB :: 2.111 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 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 :: 120.421 Ave N Shift Values>> N :: 121.14(4.54) 2.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 R 0.33 K 0.15 I 0.01 G 0.01 C Shift Assignments>> C :: 177.484 CA :: 55.274 CB :: 42.247 CG :: 27.142 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 :: 8.128 HA :: 4.359 HB2 :: 1.710 HB3 :: 1.602 HG :: 1.653 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 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 :: 124.228 Ave N Shift Values>> N :: 121.86(3.9) 2.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.105 CA :: 58.661 CB :: 63.545 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.061 HA :: 4.411 HB2 :: 3.870 HB3 :: 3.950 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 :: 116.084 Ave N Shift Values>> N :: 116.28(3.52) 2.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 K 0.11 M 0.1 Q 0.09 I 0.08 C Shift Assignments>> C :: 177.515 CA :: 57.815 CB :: 30.102 CG :: 36.120 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 :: 8.373 HA :: 4.279 HB2 :: 2.068 HB3 :: 2.172 HG2 :: 2.394 HG3 :: 2.394 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 :: 122.929 Ave N Shift Values>> N :: 120.67(3.48) 2.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 K 0.13 I 0.08 Q 0.08 M 0.07 C Shift Assignments>> C :: 176.343 CA :: 57.058 CB :: 29.675 CG :: 36.359 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 :: 8.380 HA :: 4.282 HB2 :: 2.084 HB3 :: 1.987 HG2 :: 2.309 HG3 :: 2.309 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 :: 118.383 Ave N Shift Values>> N :: 120.67(3.48) 2.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.08 G 0.06 A 0.01 HN Overlap>> 2.K37 2.K37 C Shift Assignments>> C :: 175.886 CA :: 55.396 CB :: 42.972 CG :: 27.133 CD1 :: 24.928 CD2 :: 23.867 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 :: 7.725 HA :: 4.213 HB2 :: 1.320 HB3 :: 1.495 HG :: 1.487 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 HD21 :: 0.878 HD22 :: 0.878 HD23 :: 0.878 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 :: 120.695 Ave N Shift Values>> N :: 121.86(3.9) 2.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.37 G 0.01 C Shift Assignments>> C :: 175.312 CA :: 58.760 CB :: 41.836 CD1 :: 130.578 CD2 :: 130.578 CE1 :: 128.135 CE2 :: 128.135 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 :: 7.484 HA :: 4.310 HB2 :: 2.746 HB3 :: 2.746 HD1 :: 7.029 HD2 :: 7.029 HE1 :: 7.225 HE2 :: 7.225 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 :: 115.047 Ave N Shift Values>> N :: 120.45(4.18) 2.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.24 Q 0.07 C Shift Assignments>> C :: 175.971 CA :: 53.871 CB :: 32.501 CG :: 35.591 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 :: 8.878 HA :: 4.775 HB2 :: 2.105 HB3 :: 2.105 HG2 :: 2.370 HG3 :: 2.275 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 :: 120.366 Ave N Shift Values>> N :: 120.67(3.48) 2.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 F 0.17 Y 0.14 K 0.1 N 0.07 I 0.01 C Shift Assignments>> C :: 176.406 CA :: 55.638 CB :: 40.843 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 :: 8.871 HA :: 4.754 HB2 :: 2.663 HB3 :: 2.575 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 :: 123.391 Ave N Shift Values>> N :: 120.65(3.86) 2.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 59.320 CB :: 32.378 CG1 :: 21.142 CG2 :: 21.803 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 :: 8.935 HA :: 4.485 HB :: 2.000 HG11 :: 0.942 HG12 :: 0.942 HG13 :: 0.942 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 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 :: 126.842 Ave N Shift Values>> N :: 121.14(4.54) 2.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.603 CA :: 63.686 CB :: 32.384 CG :: 27.652 CD :: 51.057 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 :: 4.549 HB2 :: 1.998 HB3 :: 2.395 HG2 :: 2.088 HG3 :: 2.094 HD2 :: 3.996 HD3 :: 3.741 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) 2.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.005 CA :: 60.400 CB :: 69.627 CG2 :: 22.067 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 :: 8.597 HA :: 4.514 HB :: 4.370 HG21 :: 1.318 HG22 :: 1.318 HG23 :: 1.318 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 :: 113.786 Ave N Shift Values>> N :: 115.42(4.75) 2.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.11 G 0.01 HN Overlap>> 2.L30 2.L30 C Shift Assignments>> C :: 176.248 CA :: 55.748 CB :: 34.059 CG :: 24.631 CD :: 29.064 CE :: 42.092 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 :: 7.764 HA :: 4.515 HB2 :: 1.782 HB3 :: 1.907 HG2 :: 1.481 HG3 :: 1.481 HD2 :: 1.748 HD3 :: 1.748 HE2 :: 3.039 HE3 :: 3.039 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 :: 120.766 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.708 CA :: 58.660 CB :: 63.731 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.710 HA :: 4.450 HB2 :: 3.902 HB3 :: 3.902 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 :: 118.796 Ave N Shift Values>> N :: 116.28(3.52) 2.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.34 E 0.1 M 0.1 R 0.03 C Shift Assignments>> C :: 175.947 CA :: 55.870 CB :: 29.516 CG :: 33.868 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 :: 8.601 HA :: 4.421 HB2 :: 2.034 HB3 :: 2.171 HG2 :: 2.402 HG3 :: 2.402 HE21 :: 7.561 HE22 :: 6.898 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 :: 122.846 NE2 :: 112.531 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.314 CA :: 61.222 CB :: 38.650 CG1 :: 27.325 CG2 :: 17.562 CD1 :: 12.993 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 :: 8.166 HA :: 4.184 HB :: 1.902 HG12 :: 1.518 HG13 :: 1.241 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 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 :: 121.772 Ave N Shift Values>> N :: 121.46(4.28) 2.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.575 CA :: 58.201 CB :: 63.773 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.374 HA :: 4.523 HB2 :: 3.918 HB3 :: 3.918 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 :: 120.193 Ave N Shift Values>> N :: 116.28(3.52) 2.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 G 0.01 C Shift Assignments>> C :: 176.743 CA :: 56.571 CB :: 33.037 CG :: 24.701 CD :: 28.975 CE :: 42.143 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 :: 8.420 HA :: 4.359 HB2 :: 1.812 HB3 :: 1.896 HG2 :: 1.480 HG3 :: 1.479 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 3.038 HE3 :: 3.038 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 :: 124.077 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.11 K 0.11 Q 0.08 I 0.05 C Shift Assignments>> C :: 176.442 CA :: 56.858 CB :: 30.059 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 :: 8.449 HA :: 4.282 HB2 :: 2.119 HB3 :: 1.998 HG2 :: 2.338 HG3 :: 2.338 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 :: 121.869 Ave N Shift Values>> N :: 120.67(3.48) 2.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.889 CA :: 52.680 CB :: 19.346 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.244 HA :: 4.336 HB1 :: 1.450 HB2 :: 1.450 HB3 :: 1.450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.346 Ave N Shift Values>> N :: 123.23(3.54) 2.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.14 K 0.09 Q 0.08 I 0.04 HN Overlap>> 1.A7 1.A7 C Shift Assignments>> C :: 176.090 CA :: 56.509 CB :: 30.207 CG :: 36.282 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 :: 8.313 HA :: 4.387 HB2 :: 2.124 HB3 :: 2.004 HG2 :: 2.337 HG3 :: 2.337 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 :: 120.022 Ave N Shift Values>> N :: 120.67(3.48) 2.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 K 0.11 N 0.11 F 0.1 Y 0.07 R 0.01 HN Overlap>> 1.Q85 1.Q85 C Shift Assignments>> C :: 176.312 CA :: 54.347 CB :: 41.143 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 :: 8.506 HA :: 4.651 HB2 :: 2.684 HB3 :: 2.762 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 :: 121.350 Ave N Shift Values>> N :: 120.65(3.86) 2.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.24 F 0.11 Y 0.11 L 0.08 C Shift Assignments>> CA :: 53.954 CB :: 39.218 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 :: 8.370 HA :: 4.662 HD21 :: 7.640 HD22 :: 6.960 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 :: 119.403 ND2 :: 112.412 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.3 L 0.24 K 0.13 F 0.12 Y 0.09 N 0.08 R 0.01 C Shift Assignments>> C :: 176.631 CA :: 54.842 CB :: 41.166 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 2.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.935 CA :: 58.689 CB :: 63.591 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.196 HA :: 4.406 HB2 :: 3.938 HB3 :: 3.938 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 :: 116.057 Ave N Shift Values>> N :: 116.28(3.52) 2.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.1 K 0.08 HN Overlap>> 2.K51 2.K51 C Shift Assignments>> C :: 174.692 CA :: 56.228 CB :: 30.570 CG :: 27.055 CD :: 43.289 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 :: 8.116 HA :: 4.317 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 1.588 HG3 :: 1.588 HD2 :: 3.192 HD3 :: 3.192 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 :: 122.433 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.24 G 0.02 HN Overlap>> 2.R50 2.R50 C Shift Assignments>> C :: 176.363 CA :: 56.203 CB :: 33.021 CG :: 24.521 CD :: 29.046 CE :: 42.471 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 :: 8.124 HA :: 4.317 HB2 :: 1.811 HB3 :: 1.695 HG2 :: 1.426 HG3 :: 1.426 HD2 :: 1.702 HD3 :: 1.702 HE2 :: 3.027 HE3 :: 3.027 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 :: 122.478 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 165 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 162 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 171 #Suspicious: 0 C Shift Results: #Consistent: 688 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1088 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 171 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.E10 HB2 = 1.244(S), Expected = 2.02, Std = 0.2100, ChiSquare = 2.1968e-04 1.E10 HG2 = 1.111(S), Expected = 2.27, Std = 0.2100, ChiSquare = 3.4084e-08 1.E10 HG3 = 0.606(S), Expected = 2.25, Std = 0.2200, ChiSquare = 7.8550e-14 1.K11 N = 105.729(S), Expected = 121.05, Std = 3.7700, ChiSquare = 4.8254e-05 1.A50 HA = 5.747(S), Expected = 4.26, Std = 0.4400, ChiSquare = 7.2606e-04 1.F89 Typing: Mistyped 1.F89 CZ = 117.693(S), Expected = 129.21, Std = 1.4300, ChiSquare = 8.0232e-16 1.K101 Typing: Mistyped 1.K101 CG = 19.142(S), Expected = 24.89, Std = 1.1300, ChiSquare = 3.6430e-07 2.R7 NE = 124.512(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00