Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.74 C 0.19 A 0.04 R 0.01 C Shift Assignments>> CA :: 53.356 CB :: 41.716 CG :: 26.901 CD1 :: 23.507 CD2 :: 25.088 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>> HA :: 4.558 HB2 :: 1.552 HB3 :: 1.580 HG :: 1.637 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 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) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 63.669 CB :: 31.878 CG :: 27.385 CD :: 50.587 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 :: 4.397 HB2 :: 1.913 HB3 :: 2.303 HG2 :: 2.031 HG3 :: 2.031 HD2 :: 3.646 HD3 :: 3.915 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.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.068 CB :: 62.873 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.274 HA :: 4.189 HB2 :: 3.946 HB3 :: 4.007 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 :: 113.837 Ave N Shift Values>> N :: 116.28(3.52) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.22 Y 0.19 D 0.16 L 0.16 C 0.09 K 0.08 N 0.03 I 0.03 C Shift Assignments>> C :: 177.468 CA :: 56.750 CB :: 40.641 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>> HA :: 4.462 HB2 :: 2.566 HB3 :: 2.613 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) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.43 G 0.07 K 0.04 C Shift Assignments>> C :: 176.334 CA :: 57.376 CB :: 31.352 CG :: 26.941 CD :: 43.443 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 :: 7.927 HA :: 4.120 HB2 :: 1.661 HB3 :: 1.805 HG2 :: 1.536 HG3 :: 1.536 HD2 :: 3.136 HD3 :: 3.136 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 :: 116.345 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.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.21 C 0.08 F 0.06 Y 0.06 L 0.05 C Shift Assignments>> C :: 175.275 CA :: 52.984 CB :: 39.116 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 :: 7.824 HA :: 4.741 HB2 :: 2.709 HB3 :: 2.803 HD21 :: 7.914 HD22 :: 7.066 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 :: 115.221 ND2 :: 113.153 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.27 C 0.22 M 0.07 E 0.05 R 0.02 C Shift Assignments>> C :: 175.005 CA :: 54.818 CB :: 29.485 CG :: 33.748 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 :: 7.758 HA :: 4.394 HB2 :: 1.981 HB3 :: 2.271 HG2 :: 2.317 HG3 :: 2.363 HE21 :: 7.524 HE22 :: 6.886 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 :: 119.012 NE2 :: 112.230 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.28 C 0.22 M 0.11 R 0.06 E 0.01 C Shift Assignments>> C :: 175.046 CA :: 55.304 CB :: 29.281 CG :: 32.940 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 :: 8.214 HA :: 4.241 HB2 :: 2.125 HB3 :: 1.955 HG2 :: 2.361 HG3 :: 2.414 HE21 :: 8.611 HE22 :: 6.961 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.382 NE2 :: 112.023 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.757 CA :: 61.246 CB :: 40.066 CG1 :: 28.909 CG2 :: 17.822 CD1 :: 13.901 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 :: 8.550 HA :: 4.522 HB :: 1.607 HG12 :: 0.859 HG13 :: 0.859 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 HD11 :: 0.674 HD12 :: 0.674 HD13 :: 0.674 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 :: 121.069 Ave N Shift Values>> N :: 121.46(4.28) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.715 CA :: 56.549 CB :: 64.165 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.989 HA :: 5.142 HB2 :: 3.805 HB3 :: 3.831 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 :: 123.809 Ave N Shift Values>> N :: 116.28(3.52) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.41 L 0.11 C Shift Assignments>> C :: 173.730 CA :: 54.494 CB :: 46.590 CG :: 27.923 CD1 :: 26.629 CD2 :: 25.980 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 :: 8.990 HA :: 5.310 HB2 :: 1.160 HB3 :: 1.426 HG :: 1.225 HD11 :: 0.081 HD12 :: 0.081 HD13 :: 0.081 HD21 :: 0.115 HD22 :: 0.115 HD23 :: 0.115 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 :: 130.260 Ave N Shift Values>> N :: 121.86(3.9) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.4 C Shift Assignments>> C :: 173.403 CA :: 59.058 CB :: 33.914 CG1 :: 20.647 CG2 :: 20.682 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 :: 9.039 HA :: 5.409 HB :: 1.958 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 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 :: 126.935 Ave N Shift Values>> N :: 121.14(4.54) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 L 0.31 C 0.14 K 0.08 R 0.02 A 0.01 C Shift Assignments>> C :: 176.096 CA :: 50.783 CB :: 24.893 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.838 HA :: 4.722 HB1 :: 1.646 HB2 :: 1.646 HB3 :: 1.646 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.087 Ave N Shift Values>> N :: 123.23(3.54) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.19 Y 0.17 L 0.15 D 0.1 C 0.08 I 0.03 R 0.02 C Shift Assignments>> C :: 176.755 CA :: 57.465 CB :: 41.254 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 :: 8.381 HA :: 4.737 HB2 :: 2.772 HB3 :: 3.113 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 :: 120.190 Ave N Shift Values>> N :: 120.65(3.86) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.35 K 0.09 G 0.08 C Shift Assignments>> C :: 172.888 CA :: 55.790 CB :: 33.698 CG :: 26.874 CD :: 43.355 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 :: 8.464 HA :: 4.596 HB2 :: 1.770 HB3 :: 1.844 HG2 :: 1.527 HD2 :: 3.070 HD3 :: 3.070 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.393 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.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.18 A 0.14 K 0.08 P 0.02 C Shift Assignments>> C :: 177.015 CA :: 50.954 CB :: 23.636 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.091 HA :: 4.977 HB1 :: 0.876 HB2 :: 0.876 HB3 :: 0.876 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.430 Ave N Shift Values>> N :: 123.23(3.54) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 172.369 CA :: 60.723 CB :: 71.346 CG2 :: 21.490 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 :: 8.598 HA :: 4.514 HB :: 3.919 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 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 :: 115.386 Ave N Shift Values>> N :: 115.42(4.75) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 173.828 CA :: 56.854 CB :: 40.143 CD1 :: 133.189 CD2 :: 133.189 CE1 :: 120.000 CE2 :: 120.000 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>> HA :: 4.761 HB2 :: 2.709 HB3 :: 2.894 HD1 :: 6.987 HD2 :: 6.987 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) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.25 C 0.06 L 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.227 CA :: 51.409 CB :: 39.697 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 :: 7.499 HA :: 4.630 HB2 :: 2.397 HB3 :: 3.058 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 :: 126.345 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.12 Q 0.1 I 0.07 M 0.02 C Shift Assignments>> C :: 177.451 CA :: 58.187 CB :: 29.379 CG :: 35.780 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 :: 8.899 HA :: 3.761 HB2 :: 2.035 HB3 :: 2.058 HG2 :: 2.286 HG3 :: 2.318 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 :: 124.620 Ave N Shift Values>> N :: 120.67(3.48) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.42 R 0.14 C Shift Assignments>> C :: 178.376 CA :: 58.163 CB :: 31.965 CG :: 24.940 CD :: 28.897 CE :: 42.006 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 :: 8.087 HA :: 4.113 HB2 :: 1.831 HB3 :: 1.905 HG2 :: 1.348 HG3 :: 1.457 HD2 :: 1.633 HD3 :: 1.633 HE2 :: 2.942 HE3 :: 2.942 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.778 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 176.356 CA :: 61.144 CB :: 70.031 CG2 :: 21.230 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 :: 7.339 HA :: 4.248 HB :: 4.203 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.008 Ave N Shift Values>> N :: 115.42(4.75) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.882 CA :: 45.654 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.298 HA2 :: 3.737 HA3 :: 4.052 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.921 Ave N Shift Values>> N :: 109.67(3.87) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.2 G 0.08 A 0.05 R 0.02 C Shift Assignments>> C :: 177.414 CA :: 54.170 CB :: 43.240 CG :: 26.378 CD1 :: 23.097 CD2 :: 24.769 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 :: 7.408 HA :: 4.735 HB2 :: 1.209 HB3 :: 1.543 HG :: 1.452 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.744 HD22 :: 0.744 HD23 :: 0.744 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 :: 119.584 Ave N Shift Values>> N :: 121.86(3.9) 1.T26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.693 CA :: 61.935 CB :: 69.783 CG2 :: 20.922 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 :: 8.362 HA :: 4.854 HB :: 3.740 HG21 :: 0.327(S) HG22 :: 0.327(S) HG23 :: 0.327(S) 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 :: 120.843 Ave N Shift Values>> N :: 115.42(4.75) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.564 CA :: 61.249 CB :: 69.912 CG2 :: 20.526 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 :: 8.529 HA :: 5.024 HB :: 3.782 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 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 :: 121.525 Ave N Shift Values>> N :: 115.42(4.75) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 175.375 CA :: 56.330 CB :: 40.166 CD1 :: 133.739 CD2 :: 133.739 CE1 :: 120.000 CE2 :: 120.000 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 :: 9.622 HA :: 5.208 HB2 :: 2.644 HB3 :: 2.772 HD1 :: 6.469 HD2 :: 6.469 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 :: 129.170 Ave N Shift Values>> N :: 120.52(4.2) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 C 0.42 C Shift Assignments>> C :: 173.406 CA :: 60.727 CB :: 72.678 CG2 :: 22.319 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 :: 8.964 HA :: 5.049 HB :: 4.073 HG21 :: 1.125 HG22 :: 1.125 HG23 :: 1.125 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 :: 113.921 Ave N Shift Values>> N :: 115.42(4.75) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.585 CA :: 46.669 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.164 HA2 :: 3.615 HA3 :: 4.366 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.042 Ave N Shift Values>> N :: 109.67(3.87) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.15 Y 0.1 F 0.08 D 0.08 E 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 173.856 CA :: 53.913 CB :: 37.782 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 :: 9.415 HA :: 4.303 HB2 :: 2.583 HB3 :: 2.864 HD21 :: 7.782 HD22 :: 6.722 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 :: 123.796 ND2 :: 112.310 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.23 C Shift Assignments>> C :: 177.166 CA :: 62.974 CB :: 31.483 CG1 :: 24.638 CG2 :: 23.231 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 :: 8.315 HA :: 4.600 HB :: 1.804 HG11 :: 0.768 HG12 :: 0.768 HG13 :: 0.768 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 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 :: 120.626 Ave N Shift Values>> N :: 121.14(4.54) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.864 CA :: 61.289 CB :: 34.724 CG1 :: 21.495 CG2 :: 21.298 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 :: 8.835 HA :: 4.960 HB :: 1.888 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 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 :: 127.327 Ave N Shift Values>> N :: 121.14(4.54) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.44 C Shift Assignments>> C :: 174.445 CA :: 58.815 CB :: 40.720 CG1 :: 28.645 CG2 :: 16.958 CD1 :: 14.834 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 :: 9.436 HA :: 5.178 HB :: 1.737 HG12 :: 0.957 HG13 :: 1.523 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 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 :: 127.111 Ave N Shift Values>> N :: 121.46(4.28) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.12 E 0.07 C Shift Assignments>> C :: 175.214 CA :: 54.767 CB :: 33.917 CG :: 37.343 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 :: 8.869 HA :: 5.267 HB2 :: 1.859 HB3 :: 2.037 HG2 :: 2.226 HG3 :: 2.102 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 :: 124.100 Ave N Shift Values>> N :: 120.67(3.48) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.28 C 0.21 M 0.07 E 0.04 R 0.03 C Shift Assignments>> C :: 175.286 CA :: 54.64 CB :: 29.324 CG :: 33.678 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 :: 8.987 HA :: 4.612 HB2 :: 1.948 HB3 :: 2.095 HG2 :: 2.182 HG3 :: 2.334 HE21 :: 7.634 HE22 :: 6.449 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 :: 125.876 NE2 :: 108.346 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> CA :: 46.770 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.128 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.443 Ave N Shift Values>> N :: 109.67(3.87) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.925 CA :: 62.459 CB :: 69.372 CG2 :: 21.974 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>> HA :: 4.306 HB :: 4.526 HG21 :: 1.333 HG22 :: 1.333 HG23 :: 1.333 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) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.33 A 0.15 C Shift Assignments>> C :: 174.882 CA :: 55.164 CB :: 33.431 CE :: 16.828 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 :: 8.252 HA :: 5.251 HE1 :: 1.869 HE2 :: 1.869 HE3 :: 1.869 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 :: 125.222 Ave N Shift Values>> N :: 120.09(3.57) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.38 R 0.18 G 0.01 C Shift Assignments>> C :: 174.832 CA :: 54.818 CB :: 36.010 CG :: 25.110 CD :: 29.541 CE :: 42.078 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 :: 8.792 HA :: 5.428 HB2 :: 1.629 HB3 :: 1.888 HG2 :: 1.373 HG3 :: 1.373 HD2 :: 1.535 HD3 :: 1.535 HE2 :: 2.780 HE3 :: 2.780 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 :: 127.455 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.29 L 0.26 C Shift Assignments>> C :: 174.519 CA :: 54.281 CB :: 46.229 CG :: 27.523 CD1 :: 25.723 CD2 :: 25.038 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 :: 9.206 HA :: 5.427 HB2 :: 1.396 HB3 :: 1.520 HG :: 1.531 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 HD21 :: 0.616 HD22 :: 0.616 HD23 :: 0.616 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.764 Ave N Shift Values>> N :: 121.86(3.9) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.38 E 0.11 Q 0.07 C Shift Assignments>> C :: 174.573 CA :: 54.761 CB :: 32.836 CG :: 35.086 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 :: 9.296 HA :: 5.485 HB2 :: 1.919 HB3 :: 2.241 HG2 :: 2.373 HG3 :: 2.373 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 :: 123.637 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.17 K 0.12 A 0.06 P 0.03 C Shift Assignments>> C :: 174.839 CA :: 51.418 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 :: 8.919 HA :: 4.708 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.000 Ave N Shift Values>> N :: 123.23(3.54) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.21 F 0.12 R 0.12 D 0.11 Y 0.09 C 0.06 I 0.01 C Shift Assignments>> C :: 176.572 CA :: 56.708 CB :: 42.124 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 :: 8.740 HA :: 4.959 HB2 :: 2.758 HB3 :: 2.864 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 :: 118.099 Ave N Shift Values>> N :: 120.65(3.86) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.190 CA :: 56.616 CB :: 65.588 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.028 HA :: 5.459 HB2 :: 3.741 HB3 :: 3.710 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 :: 110.314 Ave N Shift Values>> N :: 116.28(3.52) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.32 G 0.03 C Shift Assignments>> C :: 174.001 CA :: 59.250 CB :: 42.537 CG1 :: 28.318 CG2 :: 18.456 CD1 :: 14.155 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 :: 9.458 HA :: 5.323 HB :: 1.795 HG12 :: 1.024 HG13 :: 1.141 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 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 :: 119.710 Ave N Shift Values>> N :: 121.46(4.28) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 175.675 CA :: 61.108 CB :: 34.133 CG1 :: 20.858 CG2 :: 21.424 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 :: 8.833 HA :: 4.869 HB :: 1.866 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.083 Ave N Shift Values>> N :: 121.14(4.54) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 L 0.24 C 0.11 C Shift Assignments>> C :: 175.912 CA :: 50.391 CB :: 22.318 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.038 HA :: 5.394 HB1 :: 1.359 HB2 :: 1.359 HB3 :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.130 Ave N Shift Values>> N :: 123.23(3.54) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.882 CA :: 60.863 CB :: 70.301 CG2 :: 21.454 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 :: 8.800 HA :: 4.651 HB :: 4.206 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 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 :: 115.293 Ave N Shift Values>> N :: 115.42(4.75) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.36 C 0.15 A 0.04 R 0.01 HN Overlap>> 1.V47 1.V47 C Shift Assignments>> C :: 177.624 CA :: 53.439 CB :: 44.666 CG :: 27.148 CD1 :: 23.266 CD2 :: 25.211 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 :: 8.803 HA :: 5.234 HB2 :: 1.362 HB3 :: 1.707 HG :: 1.571 HD11 :: 0.534 HD12 :: 0.534 HD13 :: 0.534 HD21 :: 0.722 HD22 :: 0.722 HD23 :: 0.722 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 :: 125.140 Ave N Shift Values>> N :: 121.86(3.9) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.15 C 0.08 L 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 178.603 CA :: 50.791 CB :: 38.990 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 :: 8.504 HA :: 4.869 HB2 :: 3.588 HB3 :: 2.739 HD21 :: 8.091 HD22 :: 7.971 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.937 ND2 :: 113.782 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.297 CA :: 60.396 CB :: 62.582 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.535 HB2 :: 3.924 HB3 :: 4.005 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) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.35 R 0.16 C Shift Assignments>> C :: 175.308 CA :: 55.815 CB :: 31.780 CG :: 25.005 CD :: 29.001 CE :: 41.985 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 :: 7.575 HA :: 4.301 HB2 :: 1.564 HB3 :: 1.915 HG2 :: 1.314 HG3 :: 1.314 HD2 :: 2.100 HD3 :: 2.100 HE2 :: 2.880 HE3 :: 2.880 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 :: 121.247 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.36 K 0.11 G 0.06 R 0.06 C Shift Assignments>> C :: 174.238 CA :: 57.983 CB :: 25.845 CG :: 27.438 CD :: 43.267 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 :: 8.247 HA :: 3.589 HB2 :: 2.021 HB3 :: 2.186 HG2 :: 1.505 HG3 :: 1.505 HD2 :: 3.134 HD3 :: 3.134 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 112.033 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.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.3 Q 0.11 K 0.1 M 0.09 C Shift Assignments>> C :: 176.950 CA :: 54.051 CB :: 29.834 CG :: 35.932 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 :: 7.628 HA :: 4.240 HB2 :: 1.458 HB3 :: 1.869 HG2 :: 1.877 HG3 :: 2.056 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.025 Ave N Shift Values>> N :: 120.67(3.48) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 175.254 CA :: 60.349 CB :: 37.094 CG1 :: 27.963 CG2 :: 17.290 CD1 :: 11.555 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 :: 8.492 HA :: 4.040 HB :: 1.875 HG12 :: 1.282 HG13 :: 1.326 HG21 :: 0.642 HG22 :: 0.642 HG23 :: 0.642 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 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 :: 119.901 Ave N Shift Values>> N :: 121.46(4.28) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.25 M 0.22 E 0.11 K 0.1 C Shift Assignments>> C :: 174.278 CA :: 57.337 CB :: 30.835 CG :: 34.055 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 :: 9.113 HA :: 4.320 HB2 :: 1.768 HB3 :: 1.926 HG2 :: 2.224 HG3 :: 2.335 HE21 :: 7.475 HE22 :: 6.996 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 :: 128.152 NE2 :: 111.405 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 172.758 CA :: 59.989 CB :: 71.672 CG2 :: 21.729 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 :: 7.466 HA :: 5.197 HB :: 3.882 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 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 :: 108.871 Ave N Shift Values>> N :: 115.42(4.75) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 C Shift Assignments>> C :: 174.094 CA :: 59.321 CB :: 41.773 CG1 :: 27.916 CG2 :: 18.057 CD1 :: 13.856 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 :: 8.830 HA :: 4.740 HB :: 1.896 HG12 :: 1.020 HG13 :: 1.479 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 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 :: 122.663 Ave N Shift Values>> N :: 121.46(4.28) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.084 CA :: 62.653 CB :: 69.405 CG2 :: 20.917 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 :: 8.779 HA :: 4.957 HB :: 4.018 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 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 :: 122.488 Ave N Shift Values>> N :: 115.42(4.75) 1.A61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.54 L 0.28 C 0.14 K 0.01 C Shift Assignments>> C :: 175.260 CA :: 50.075 CB :: 22.577 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.314(S) HA :: 5.395 HB1 :: 1.323 HB2 :: 1.323 HB3 :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 134.233 Ave N Shift Values>> N :: 123.23(3.54) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.17 G 0.01 C Shift Assignments>> C :: 176.359 CA :: 54.440 CB :: 35.920 CG :: 25.074 CD :: 29.122 CE :: 42.258 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 :: 8.698 HA :: 5.552 HB2 :: 1.729 HB3 :: 1.895 HG2 :: 1.456 HG3 :: 1.456 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 2.962 HE3 :: 2.962 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.259 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 171.213 CA :: 45.129 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.607 HA2 :: 3.741 HA3 :: 4.458 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.145 Ave N Shift Values>> N :: 109.67(3.87) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.25 G 0.16 K 0.01 C Shift Assignments>> C :: 173.519 CA :: 52.957 CB :: 30.423 CG :: 26.799 CD :: 43.491 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 :: 8.687 HA :: 4.937 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 1.519 HG3 :: 1.519 HD2 :: 3.210 HD3 :: 3.210 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.877 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.P65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.92 A 0.05 P 0.01 C Shift Assignments>> C :: 178.819 CA :: 62.784 CB :: 32.728 CG :: 23.122(S) CD :: 50.149 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 :: 4.419 HB2 :: 2.081 HB3 :: 2.272 HG2 :: 1.408 HG3 :: 1.895 HD2 :: 3.457 HD3 :: 3.457 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.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.774 CA :: 59.364 CB :: 63.743 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.244 HA :: 4.707 HB2 :: 3.642 HB3 :: 3.718 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 :: 113.066 Ave N Shift Values>> N :: 116.28(3.52) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.31 K 0.14 G 0.01 C Shift Assignments>> C :: 174.767 CA :: 55.196 CB :: 37.371 CG :: 25.299 CD :: 29.678 CE :: 42.226 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 :: 8.241 HA :: 5.425 HB2 :: 1.644 HB3 :: 1.927 HG2 :: 1.354 HG3 :: 1.354 HD2 :: 1.561 HD3 :: 1.561 HE2 :: 2.804 HE3 :: 2.816 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 :: 120.746 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 F 0.25 Y 0.15 C 0.15 HN Overlap>> 1.Q70 1.Q70 C Shift Assignments>> C :: 173.185 CA :: 55.145 CB :: 43.967 CZ :: 128.812 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 :: 8.958 HA :: 5.926 HB2 :: 2.500 HB3 :: 3.209 HD1 :: 6.622 HD2 :: 6.622 HE1 :: 6.500 HE2 :: 6.500 HZ :: 6.141 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.387 Ave N Shift Values>> N :: 120.45(4.18) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.41 Q 0.07 E 0.01 C Shift Assignments>> C :: 173.784 CA :: 54.151 CB :: 33.399 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 :: 8.826 HA :: 4.980 HB2 :: 1.903 HB3 :: 1.999 HG2 :: 2.140 HG3 :: 2.242 HE21 :: 7.387 HE22 :: 6.843 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 :: 119.168 NE2 :: 110.990 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.27 Q 0.24 K 0.04 E 0.03 HN Overlap>> 1.F68 1.F68 C Shift Assignments>> C :: 173.838 CA :: 55.307 CB :: 31.436 CG :: 33.391 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 :: 8.863 HA :: 4.691 HB2 :: 1.948 HB3 :: 1.948 HG2 :: 2.166 HG3 :: 2.166 HE21 :: 7.468 HE22 :: 6.911 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 :: 119.413 NE2 :: 109.944 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 E 0.06 R 0.05 M 0.04 C Shift Assignments>> C :: 175.098 CA :: 56.201 CB :: 28.836 CG :: 33.770 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 :: 8.373 HA :: 4.505 HB2 :: 1.958 HB3 :: 2.170 HG2 :: 2.291 HG3 :: 2.340 HE21 :: 7.413 HE22 :: 6.758 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.588 NE2 :: 110.700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 175.918 CA :: 63.460 CB :: 38.613 CG1 :: 28.004 CG2 :: 17.891 CD1 :: 13.473 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 :: 8.976 HA :: 3.958 HB :: 1.772 HG12 :: 1.471 HG13 :: 1.597 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.708 Ave N Shift Values>> N :: 121.46(4.28) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.627 CA :: 56.839 CB :: 64.585 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.647 HA :: 4.539 HB2 :: 4.072 HB3 :: 4.011 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 :: 110.111 Ave N Shift Values>> N :: 116.28(3.52) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.48 A 0.46 I 0.02 C 0.02 C Shift Assignments>> C :: 178.387 CA :: 54.807 CB :: 18.178 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.085 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 N 0.13 F 0.11 Y 0.08 K 0.06 C 0.06 C Shift Assignments>> C :: 176.420 CA :: 54.494 CB :: 40.787 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 :: 8.270 HA :: 4.549 HB2 :: 2.616 HB3 :: 2.648 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 :: 113.485 Ave N Shift Values>> N :: 120.65(3.86) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.25 R 0.23 G 0.08 C Shift Assignments>> C :: 176.485 CA :: 56.006 CB :: 33.835 CG :: 25.272 CD :: 28.207 CE :: 43.429 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 :: 7.552 HA :: 4.363 HB2 :: 1.723 HB3 :: 1.864 HG2 :: 1.365 HG3 :: 1.365 HD2 :: 1.446 HD3 :: 1.446 HE2 :: 3.003 HE3 :: 3.003 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.602 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.082 CA :: 45.370 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.205 HA2 :: 3.832 HA3 :: 4.020 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.157 Ave N Shift Values>> N :: 109.67(3.87) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 176.237 CA :: 60.710 CB :: 40.453 CG1 :: 28.175 CG2 :: 17.910 CD1 :: 13.135 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 :: 8.406 HA :: 4.533 HB :: 1.740 HG12 :: 1.013 HG13 :: 1.028 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 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 :: 120.708 Ave N Shift Values>> N :: 121.46(4.28) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.03 L 0.03 M 0.01 C Shift Assignments>> C :: 176.248 CA :: 50.605 CB :: 20.734 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.043 HA :: 5.145 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.049 Ave N Shift Values>> N :: 123.23(3.54) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.25 K 0.23 G 0.1 C Shift Assignments>> C :: 173.784 CA :: 54.170 CB :: 33.914 CG :: 28.157 CD :: 43.239 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 :: 8.724 HA :: 4.552 HB2 :: 1.551 HB3 :: 1.707 HG2 :: 0.783 HG3 :: 0.892 HD2 :: 2.977 HD3 :: 2.977 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.282 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.G81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 171.980 CA :: 45.132 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.946 HA2 :: 3.519 HA3 :: 5.144(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.902 Ave N Shift Values>> N :: 109.67(3.87) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 M 0.11 E 0.03 C Shift Assignments>> C :: 174.357 CA :: 54.170 CB :: 34.784 CG :: 35.856 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 :: 9.101 HA :: 5.521 HB2 :: 2.104 HB3 :: 2.358 HG2 :: 2.296 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.704 Ave N Shift Values>> N :: 120.67(3.48) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 171.980 CA :: 45.132 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.387 HA2 :: 3.579 HA3 :: 4.240 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.482 Ave N Shift Values>> N :: 109.67(3.87) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.19 Q 0.18 E 0.15 I 0.07 R 0.01 M 0.01 C Shift Assignments>> C :: 176.956 CA :: 59.621 CB :: 28.893 CG :: 34.662 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 :: 8.998 HA :: 4.508 HB2 :: 2.331 HB3 :: 2.454 HG2 :: 2.595 HG3 :: 2.634 HE21 :: 7.728 HE22 :: 6.824 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 :: 124.237 NE2 :: 111.807 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.957 CA :: 61.017 CB :: 71.129 CG2 :: 21.444 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 :: 8.508 HA :: 5.363 HB :: 3.895 HG21 :: 1.123 HG22 :: 1.123 HG23 :: 1.123 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 :: 111.634 Ave N Shift Values>> N :: 115.42(4.75) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 174.450 CA :: 60.760 CB :: 41.669 CG1 :: 27.958 CG2 :: 17.537 CD1 :: 12.984 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 :: 9.319 HA :: 4.957 HB :: 1.558 HG12 :: 0.618 HG13 :: 0.866 HG21 :: 0.575 HG22 :: 0.575 HG23 :: 0.575 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.699 Ave N Shift Values>> N :: 121.46(4.28) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 175.163 CA :: 60.623 CB :: 33.536 CG1 :: 20.900 CG2 :: 21.323 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.178 HA :: 5.122 HB :: 1.895 HG11 :: 0.822 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 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 :: 127.644 Ave N Shift Values>> N :: 121.14(4.54) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Y 0.45 C Shift Assignments>> C :: 173.019 CA :: 53.380 CB :: 39.953 CD1 :: 130.847 CD2 :: 130.847 CE1 :: 118.224 CE2 :: 118.224 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 :: 9.454 HA :: 5.427 HB2 :: 2.625 HB3 :: 2.712 HD1 :: 6.608 HD2 :: 6.608 HE1 :: 6.480 HE2 :: 6.480 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 :: 128.598 Ave N Shift Values>> N :: 120.52(4.2) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.17 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 173.673 CA :: 51.934 CB :: 38.928 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 :: 8.268 HA :: 4.771 HB2 :: 2.430 HB3 :: 3.211 HD21 :: 7.339 HD22 :: 7.074 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 :: 127.384 ND2 :: 112.537 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.31 C 0.01 C Shift Assignments>> C :: 178.336 CA :: 53.092 CB :: 17.712 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.948 HA :: 3.645 HB1 :: 0.923 HB2 :: 0.923 HB3 :: 0.923 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.570 Ave N Shift Values>> N :: 123.23(3.54) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 L 0.18 D 0.16 Y 0.16 K 0.13 C 0.08 N 0.02 I 0.02 R 0.01 C Shift Assignments>> C :: 178.171 CA :: 56.640 CB :: 40.978 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 :: 8.372 HA :: 4.552 HB2 :: 2.673 HB3 :: 2.832 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 :: 116.391 Ave N Shift Values>> N :: 120.65(3.86) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 176.863 CA :: 61.310 CB :: 70.103 CG2 :: 21.447 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 :: 7.567 HA :: 4.336 HB :: 4.270 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 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 :: 107.070 Ave N Shift Values>> N :: 115.42(4.75) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.185 CA :: 46.665 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.464 HA2 :: 3.895 HA3 :: 4.050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.984 Ave N Shift Values>> N :: 109.67(3.87) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.38 C Shift Assignments>> C :: 175.923 CA :: 59.301 CB :: 37.803 CG1 :: 26.762 CG2 :: 17.360 CD1 :: 10.193 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 :: 7.349 HA :: 4.645 HB :: 1.802 HG12 :: 1.226 HG13 :: 1.336 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.708 Ave N Shift Values>> N :: 121.46(4.28) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 174.582 CA :: 59.841 CB :: 39.889 CG1 :: 28.708 CG2 :: 17.587 CD1 :: 11.960 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 :: 9.426 HA :: 4.924 HB :: 1.549 HG12 :: 1.342 HG13 :: 0.513 HG21 :: 0.239 HG22 :: 0.239 HG23 :: 0.239 HD11 :: -0.125 HD12 :: -0.125 HD13 :: -0.125 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 :: 130.618 Ave N Shift Values>> N :: 121.46(4.28) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.946 CA :: 61.572 CB :: 69.835 CG2 :: 21.168 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 :: 9.456 HA :: 5.031 HB :: 3.942 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 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 :: 122.746 Ave N Shift Values>> N :: 115.42(4.75) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 G 0.26 R 0.21 L 0.2 C Shift Assignments>> C :: 175.097 CA :: 54.656 CB :: 44.018 CG :: 27.295 CD1 :: 26.970 CD2 :: 27.197 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 :: 9.514 HA :: 5.020 HB2 :: 1.548 HB3 :: 1.615 HG :: 0.811 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.198 Ave N Shift Values>> N :: 121.86(3.9) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.795 CA :: 57.359 CB :: 65.658 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.316 HA :: 5.489 HB2 :: 3.738 HB3 :: 3.773 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 :: 116.051 Ave N Shift Values>> N :: 116.28(3.52) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.335 CA :: 45.684 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.834 HA2 :: 3.706 HA3 :: 4.300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.353 Ave N Shift Values>> N :: 109.67(3.87) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 179.482 CA :: 47.342 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.139 HA2 :: 3.769 HA3 :: 3.800 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.216 Ave N Shift Values>> N :: 109.67(3.87) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 L 0.11 C 0.05 M 0.01 C Shift Assignments>> C :: 177.231 CA :: 52.412 CB :: 21.058 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.317 HA :: 4.967 HB1 :: 1.145 HB2 :: 1.145 HB3 :: 1.145 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.379 Ave N Shift Values>> N :: 123.23(3.54) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.2 G 0.05 C Shift Assignments>> C :: 172.968 CA :: 56.063 CB :: 42.696 CD1 :: 132.778 CD2 :: 132.778 CE1 :: 117.928 CE2 :: 117.928 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.660 HA :: 5.271 HB2 :: 2.605 HB3 :: 3.079 HD1 :: 6.886 HD2 :: 6.886 HE1 :: 6.609 HE2 :: 6.609 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.853 Ave N Shift Values>> N :: 120.52(4.2) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.29 L 0.17 A 0.02 C Shift Assignments>> C :: 173.633 CA :: 53.766 CB :: 47.224 CG :: 27.288 CD1 :: 24.391 CD2 :: 26.095 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 :: 8.479 HA :: 4.888 HB2 :: 1.230 HB3 :: 1.492 HG :: 1.382 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.868 HD22 :: 0.868 HD23 :: 0.868 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 :: 126.168 Ave N Shift Values>> N :: 121.86(3.9) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 174.493 CA :: 56.060 CB :: 40.953 CD1 :: 133.667 CD2 :: 133.667 CE1 :: 117.678 CE2 :: 117.678 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 :: 9.367 HA :: 5.114 HB2 :: 2.797 HB3 :: 2.828 HD1 :: 6.941 HD2 :: 6.941 HE1 :: 6.708 HE2 :: 6.708 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 :: 126.186 Ave N Shift Values>> N :: 120.52(4.2) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.27 Q 0.25 K 0.05 E 0.03 C Shift Assignments>> C :: 174.703 CA :: 55.196 CB :: 31.321 CG :: 33.399 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 :: 8.138 HA :: 4.395 HB2 :: 1.988 HB3 :: 2.051 HG2 :: 2.202 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 :: 121.410 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.16 F 0.16 Y 0.15 L 0.13 C 0.09 I 0.01 K 0.01 HN Overlap>> 1.Y117 1.Y117 C Shift Assignments>> C :: 175.926 CA :: 55.173 CB :: 39.893 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 :: 9.314 HA :: 4.272 HB2 :: 2.395 HB3 :: 2.894 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 :: 124.529 Ave N Shift Values>> N :: 120.65(3.86) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.054 CA :: 45.412 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.325 HA2 :: 3.760 HA3 :: 4.204 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.090 Ave N Shift Values>> N :: 109.67(3.87) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.196 CA :: 57.313 CB :: 64.998 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.619 HA :: 4.764 HB2 :: 3.738 HB3 :: 3.766 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 :: 115.708 Ave N Shift Values>> N :: 116.28(3.52) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 173.406 CA :: 57.032 CB :: 66.215 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.587 HA :: 5.427 HB2 :: 3.802 HB3 :: 3.893 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 :: 117.537 Ave N Shift Values>> N :: 116.28(3.52) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> C :: 172.971 CA :: 60.168 CB :: 41.803 CG1 :: 27.094 CG2 :: 17.915 CD1 :: 13.880 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 :: 8.817 HA :: 4.520 HB :: 1.768 HG12 :: 1.473 HG13 :: 1.109 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 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 :: 121.805 Ave N Shift Values>> N :: 121.46(4.28) 1.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.22 G 0.15 R 0.14 C Shift Assignments>> C :: 176.204 CA :: 54.386 CB :: 34.325 CG :: 28.839 CD :: 43.429 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 :: 8.208 HA :: 5.331 HB2 :: 1.615 HB3 :: 1.895 HG2 :: 0.869 HG3 :: 0.869 HD2 :: 3.161 HD3 :: 3.161 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 :: 121.305 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.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 171.332 CA :: 45.347 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.061 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.807 Ave N Shift Values>> N :: 109.67(3.87) 1.N113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.190 CA :: 60.922 CB :: 71.563 CG2 :: 21.436 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>> HA :: 5.365 HB :: 3.895 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 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) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 A 0.23 G 0.22 L 0.11 C Shift Assignments>> C :: 174.601 CA :: 53.089 CB :: 47.526 CG :: 27.001 CD1 :: 22.864 CD2 :: 23.111 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 :: 9.173 HA :: 4.801 HB2 :: 1.333 HB3 :: 1.457 HG :: 0.638 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 :: 125.524 Ave N Shift Values>> N :: 121.86(3.9) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.41 R 0.16 G 0.01 C Shift Assignments>> C :: 174.400 CA :: 54.980 CB :: 35.887 CG :: 25.062 CD :: 29.437 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 :: 8.470 HA :: 5.239 HB2 :: 1.553 HB3 :: 1.615 HG2 :: 1.227 HD2 :: 1.524 HD3 :: 1.524 HE2 :: 2.758 HE3 :: 2.807 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 :: 119.756 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.76 C 0.22 G 0.01 HN Overlap>> 1.D106 1.D106 C Shift Assignments>> C :: 172.799 CA :: 56.384 CB :: 42.023 CD1 :: 132.985 CD2 :: 132.985 CE1 :: 117.922 CE2 :: 117.922 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 :: 9.368 HA :: 4.613 HB2 :: 2.454 HB3 :: 2.770 HD1 :: 6.687 HD2 :: 6.687 HE1 :: 6.598 HE2 :: 6.598 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 :: 124.531 Ave N Shift Values>> N :: 120.52(4.2) 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 :: 174.065 CA :: 55.380 CB :: 63.730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.806 HA :: 4.805 HB2 :: 3.489 HB3 :: 3.519 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 :: 120.523 Ave N Shift Values>> N :: 116.28(3.52) 1.M119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.44 A 0.07 C Shift Assignments>> C :: 176.469 CA :: 56.453 CB :: 33.630 CG :: 30.442 CE :: 17.029 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 :: 8.665 HA :: 4.250 HB2 :: 2.120 HB3 :: 2.189 HG2 :: 1.634 HG3 :: 1.710 HE1 :: 1.372 HE2 :: 1.372 HE3 :: 1.372 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 :: 124.285 Ave N Shift Values>> N :: 120.09(3.57) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 175.124 CA :: 53.291 CB :: 38.739 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 :: 8.165 HA :: 4.695 HB2 :: 2.708 HB3 :: 2.822 HD21 :: 7.435 HD22 :: 6.956 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.116 ND2 :: 112.977 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.48 C 0.41 R 0.09 C Shift Assignments>> C :: 176.907 CA :: 56.490 CB :: 33.017 CG :: 24.811 CD :: 29.114 CE :: 41.963 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>> HA :: 4.207 HB2 :: 1.676 HB3 :: 1.803 HG2 :: 1.365 HG3 :: 1.410 HD2 :: 1.563 HD3 :: 1.563 HE2 :: 2.941 HE3 :: 2.941 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) 1.G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.612 CA :: 45.426 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.314 HA2 :: 3.862 HA3 :: 3.894 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.829 Ave N Shift Values>> N :: 109.67(3.87) 1.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.13 N 0.08 F 0.07 Y 0.04 C 0.04 R 0.03 C Shift Assignments>> C :: 176.172 CA :: 53.785 CB :: 41.638 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.890 HA :: 4.661 HB2 :: 2.490 HB3 :: 2.613 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.142 Ave N Shift Values>> N :: 120.65(3.86) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.150 CA :: 62.376 CB :: 32.723 CG1 :: 20.915 CG2 :: 21.223 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 :: 8.193 HA :: 4.133 HB :: 2.028 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.587 Ave N Shift Values>> N :: 121.14(4.54) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.11 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 176.161 CA :: 56.183 CB :: 30.352 CG :: 36.221 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 :: 8.467 HA :: 4.254 HB2 :: 1.862 HB3 :: 1.958 HG2 :: 2.159 HG3 :: 2.203 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 :: 124.103 Ave N Shift Values>> N :: 120.67(3.48) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.753 CA :: 52.392 CB :: 19.093 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.313 HA :: 4.287 HB1 :: 1.338 HB2 :: 1.338 HB3 :: 1.338 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.061 Ave N Shift Values>> N :: 123.23(3.54) 1.Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.27 C 0.23 M 0.07 E 0.07 R 0.02 C Shift Assignments>> C :: 176.626 CA :: 55.593 CB :: 29.485 CG :: 33.810 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 :: 8.356 HA :: 4.291 HB2 :: 1.963 HB3 :: 2.342 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 :: 119.279 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 R 0.16 H 0.14 M 0.13 E 0.13 K 0.13 Q 0.08 V 0.02 C Shift Assignments>> C :: 180.906 CA :: 57.414 CB :: 31.378 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 :: 7.863 HA :: 4.745 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.730 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.4FO11 Overall Status: Residue type 4FO not supported. 2.EU01 Overall Status: Residue type EU0 not supported. 2.HYP2 Overall Status: Residue type HYP not supported. 2.I3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.653 HA :: 5.437 HB :: 1.612 HG12 :: 0.823 HG13 :: 1.467 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 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) 2.T4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.398 HA :: 4.731 HB :: 3.978 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 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) 2.Y5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.706 HA :: 5.993 HB2 :: 2.842 HB3 :: 3.101 HD1 :: 7.054 HD2 :: 7.054 HE1 :: 6.770 HE2 :: 6.770 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) 2.N7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.829 HA :: 4.905 HB2 :: 2.460 HB3 :: 3.102 HD21 :: 7.809 HD22 :: 6.962 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) 2.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.558 HA :: 3.921 HB2 :: 1.737 HB3 :: 1.854 HG2 :: 1.444 HG3 :: 1.596 HD2 :: 3.116 HD3 :: 3.116 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) 2.DAB9 Overall Status: Residue type DAB not supported. 2.T10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.476 HA :: 4.402 HB :: 4.356 HG21 :: 1.251 HG22 :: 1.251 HG23 :: 1.251 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) 2.K12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.845 HA :: 4.445 HB2 :: 1.711 HB3 :: 1.796 HG2 :: 1.327 HG3 :: 1.399 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.986 HE3 :: 2.986 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) 2.C13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.836 HA :: 5.684 HB2 :: 2.594 HB3 :: 2.896 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 2.DAB14 Overall Status: Residue type DAB not supported. 2.R15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.834 HA :: 4.905 HB2 :: 1.700 HB3 :: 1.700 HG2 :: 1.618 HG3 :: 1.618 HD2 :: 3.181 HD3 :: 3.181 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) 2.LE16 Overall Status: Residue type LE1 not supported. 2.Y16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.212 HA :: 4.365 HB2 :: 2.964 HB3 :: 3.174 HD1 :: 7.104 HD2 :: 7.104 HE1 :: 6.753 HE2 :: 6.753 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) ########################################################################### Overall Results: #Consistent: 139 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 126 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 17 Shift Relative Order (SRO) Results: #Consistent: 143 #Suspicious: 0 C Shift Results: #Consistent: 526 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 901 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 129 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T26 HG21 = 0.327(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0811e-04 1.T26 HG22 = 0.327(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0811e-04 1.T26 HG23 = 0.327(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0811e-04 1.A61 H = 10.314(S), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2616e-04 1.P65 CG = 23.122(S), Expected = 27.17, Std = 1.0900, ChiSquare = 2.0420e-04 1.G81 HA3 = 5.144(S), Expected = 3.90, Std = 0.3700, ChiSquare = 7.7335e-04