Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.49 C 0.34 A 0.16 C Shift Assignments>> C :: 172.465 CA :: 55.036 CB :: 32.995 CG :: 30.835 CE :: 16.747 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 3.987 HB2 :: 2.076 HB3 :: 2.062 HG2 :: 2.526 HG3 :: 2.526 HE1 :: 2.023 HE2 :: 2.023 HE3 :: 2.023 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 176.735 CA :: 52.399 CB :: 19.250 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.630 HA :: 4.260 HB1 :: 1.308 HB2 :: 1.308 HB3 :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.112 Ave N Shift Values>> N :: 123.23(3.54) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 C Shift Assignments>> C :: 177.234 CA :: 52.154 CB :: 19.283 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.295 HA :: 4.213 HB1 :: 1.274 HB2 :: 1.274 HB3 :: 1.274 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.779 Ave N Shift Values>> N :: 123.23(3.54) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.29 Q 0.13 K 0.13 M 0.07 C Shift Assignments>> C :: 174.476 CA :: 54.194 CB :: 29.580 CG :: 35.813 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 :: 8.175 HA :: 4.470 HB2 :: 1.930 HB3 :: 1.768 HG2 :: 2.197 HG3 :: 2.197 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 :: 121.155 Ave N Shift Values>> N :: 120.67(3.48) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.690 CA :: 63.038 CB :: 31.996 CG :: 27.396 CD :: 50.534 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 :: 4.318 HB2 :: 2.147 HB3 :: 1.782 HG2 :: 1.930 HG3 :: 1.881 HD2 :: 3.689 HD3 :: 3.580 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.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.D68 1.D68 C Shift Assignments>> C :: 176.140 CA :: 62.021 CB :: 32.875 CG1 :: 21.209 CG2 :: 20.457 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 :: 8.121 HA :: 4.001 HB :: 1.936 HG11 :: 0.817 HG12 :: 0.817 HG13 :: 0.817 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.424 Ave N Shift Values>> N :: 121.14(4.54) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 M 0.11 Q 0.07 K 0.06 I 0.01 C Shift Assignments>> C :: 175.893 CA :: 56.148 CB :: 30.307 CG :: 36.108 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 :: 8.410 HA :: 4.225 HB2 :: 1.925 HB3 :: 1.808 HG2 :: 2.140 HG3 :: 2.140 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 :: 124.684 Ave N Shift Values>> N :: 120.67(3.48) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.11 K 0.1 F 0.08 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.D73 1.Q92 1.Q60 1.D73 1.Q92 1.Q60 C Shift Assignments>> C :: 175.738 CA :: 54.073 CB :: 41.190 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 :: 8.283 HA :: 4.500 HB2 :: 2.564 HB3 :: 2.513 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 :: 122.079 Ave N Shift Values>> N :: 120.65(3.86) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.17 C 0.12 C Shift Assignments>> C :: 174.165 CA :: 53.087 CB :: 38.404 CG :: 177.184 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 :: 8.374 HA :: 4.556 HB2 :: 2.771 HB3 :: 2.726 HD21 :: 7.444 HD22 :: 6.790 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 :: 118.758 ND2 :: 112.175 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.16 E 0.15 H 0.15 C 0.14 R 0.12 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 173.857 CA :: 57.162 CB :: 29.244 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.804 HA :: 4.696 HB2 :: 2.359 HB3 :: 2.359 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.078 Ave N Shift Values>> N :: 120.17(4.64) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 173.945 CA :: 60.917 CB :: 38.538 CG1 :: 27.523 CG2 :: 17.078 CD1 :: 13.517 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 :: 8.343 HA :: 3.807 HB :: 0.914 HG12 :: 1.225 HG13 :: 0.830 HG21 :: 0.180 HG22 :: 0.180 HG23 :: 0.180 HD11 :: 0.576 HD12 :: 0.576 HD13 :: 0.576 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 :: 125.267 Ave N Shift Values>> N :: 121.46(4.28) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 D 0.16 C 0.1 HN Overlap>> 1.I82 1.I82 C Shift Assignments>> C :: 174.430 CA :: 52.172 CB :: 40.312 CG :: 175.536 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 :: 8.704 HA :: 4.749 HB2 :: 2.601 HB3 :: 2.076 HD21 :: 7.441 HD22 :: 6.688 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 :: 125.787 ND2 :: 114.172 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 F 0.28 C Shift Assignments>> C :: 176.312 CA :: 54.067 CB :: 39.446 CD1 :: 129.334 CD2 :: 129.334 CE1 :: 131.663 CE2 :: 131.663 CZ :: 129.359 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 :: 5.549 HB2 :: 3.106 HB3 :: 2.961 HD1 :: 6.343 HD2 :: 6.343 HE1 :: 6.384 HE2 :: 6.384 HZ :: 6.284 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 :: 122.408 Ave N Shift Values>> N :: 120.45(4.18) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.09 C Shift Assignments>> C :: 175.560 CA :: 60.900 CB :: 32.863 CG1 :: 17.685 CG2 :: 21.843 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 :: 8.809 HA :: 4.464 HB :: 2.329 HG11 :: 0.747 HG12 :: 0.747 HG13 :: 0.747 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 :: 113.727 Ave N Shift Values>> N :: 121.14(4.54) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.37 C 0.11 K 0.01 C Shift Assignments>> C :: 174.573 CA :: 51.799 CB :: 22.309 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.998 HA :: 4.834 HB1 :: 1.478 HB2 :: 1.478 HB3 :: 1.478 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.244 Ave N Shift Values>> N :: 123.23(3.54) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 C 0.38 M 0.04 C Shift Assignments>> C :: 174.624 CA :: 54.181 CB :: 38.963 CG :: 33.354 CE :: 17.737 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 :: 8.288 HA :: 5.144 HB2 :: 1.659 HB3 :: 1.605 HG2 :: 2.162 HG3 :: 1.936 HE1 :: 2.005 HE2 :: 2.005 HE3 :: 2.005 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 :: 117.467 Ave N Shift Values>> N :: 120.09(3.57) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.33 R 0.09 C Shift Assignments>> C :: 173.106 CA :: 55.545 CB :: 36.655 CG :: 24.689 CD :: 29.346 CE :: 41.828 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 :: 8.836 HA :: 4.446 HB2 :: 1.606 HB3 :: 1.429 HG2 :: 1.195 HG3 :: 1.168 HD2 :: 1.470 HD3 :: 1.450 HE2 :: 2.666 HE3 :: 2.682 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.681 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> C :: 174.502 CA :: 56.270 CB :: 40.561 CD1 :: 131.124 CD2 :: 131.124 CE1 :: 130.451 CE2 :: 130.451 CZ :: 128.852 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 :: 8.626 HA :: 5.333 HB2 :: 3.063 HB3 :: 2.301 HD1 :: 6.611 HD2 :: 6.611 HE1 :: 6.174 HE2 :: 6.174 HZ :: 6.502 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 :: 127.376 Ave N Shift Values>> N :: 120.45(4.18) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 174.586 CA :: 59.563 CB :: 41.352 CG1 :: 26.849 CG2 :: 16.949 CD1 :: 13.283 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 :: 8.335 HA :: 4.124 HB :: 1.595 HG12 :: 1.295 HG13 :: 0.876 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 HD11 :: 0.576 HD12 :: 0.576 HD13 :: 0.576 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 :: 126.477 Ave N Shift Values>> N :: 121.46(4.28) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 N 0.19 F 0.18 D 0.16 C 0.13 L 0.07 I 0.02 E 0.01 C Shift Assignments>> C :: 176.432 CA :: 55.521 CB :: 39.051 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 :: 8.958 HA :: 4.008 HB2 :: 2.749 HB3 :: 2.482 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 :: 126.766 Ave N Shift Values>> N :: 120.65(3.86) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.35 C 0.2 C Shift Assignments>> C :: 172.752 CA :: 54.428 CB :: 38.621 CG :: 178.393 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 :: 8.407 HA :: 3.680 HB2 :: 3.112 HB3 :: 2.581 HD21 :: 7.514 HD22 :: 6.966 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 :: 113.077 ND2 :: 112.810 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T22 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 :: 169.872 CA :: 62.031 CB :: 71.408 CG2 :: 20.560 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 :: 6.882 HA :: 4.040 HB :: 3.846 HG21 :: 0.553 HG22 :: 0.553 HG23 :: 0.553 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 :: 113.808 Ave N Shift Values>> N :: 115.42(4.75) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 C 0.25 L 0.16 R 0.12 A 0.07 C Shift Assignments>> C :: 172.821 CA :: 53.859 CB :: 44.335 CG :: 26.350 CD1 :: 23.013 CD2 :: 27.531 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 :: 7.686 HA :: 4.505 HB2 :: 1.723 HB3 :: 0.783 HG :: 0.603 HD11 :: 0.508 HD12 :: 0.508 HD13 :: 0.508 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 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 :: 126.409 Ave N Shift Values>> N :: 121.86(3.9) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.23 G 0.04 HN Overlap>> 1.N123 1.N123 1.F57 1.F57 C Shift Assignments>> C :: 174.658 CA :: 55.870 CB :: 42.501 CD1 :: 133.489 CD2 :: 133.489 CE1 :: 117.572 CE2 :: 117.572 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 :: 8.612 HA :: 5.312 HB2 :: 2.768 HB3 :: 2.553 HD1 :: 6.751 HD2 :: 6.751 HE1 :: 6.571 HE2 :: 6.571 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 :: 122.782 Ave N Shift Values>> N :: 120.52(4.2) 1.F25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.77 C 0.21 C Shift Assignments>> C :: 174.380 CA :: 56.163 CB :: 41.415 CD1 :: 131.577 CD2 :: 131.577 CE1 :: 129.759 CE2 :: 129.759 CZ :: 129.362 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 :: 9.367 HA :: 4.747 HB2 :: 1.574(S) HB3 :: 1.431(S) HD1 :: 6.585 HD2 :: 6.585 HE1 :: 6.645 HE2 :: 6.645 HZ :: 6.309 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 :: 117.560 Ave N Shift Values>> N :: 120.45(4.18) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 HN Overlap>> 1.K44 1.K44 C Shift Assignments>> C :: 175.842 CA :: 60.456 CB :: 39.964 CG1 :: 28.654 CG2 :: 17.977 CD1 :: 13.960 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 :: 8.097 HA :: 4.460 HB :: 1.524 HG12 :: 1.256 HG13 :: 1.047 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 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 :: 120.891 Ave N Shift Values>> N :: 121.46(4.28) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 L 0.07 C 0.04 M 0.01 C Shift Assignments>> C :: 177.404 CA :: 51.417 CB :: 21.061 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.244 HA :: 5.186 HB1 :: 1.552 HB2 :: 1.552 HB3 :: 1.552 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.071 Ave N Shift Values>> N :: 123.23(3.54) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.34 M 0.14 Q 0.06 K 0.04 I 0.01 C Shift Assignments>> C :: 175.702 CA :: 56.858 CB :: 30.721 CG :: 36.121 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 :: 8.433 HA :: 4.116 HB2 :: 1.979 HB3 :: 2.011 HG2 :: 2.269 HG3 :: 2.225 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 :: 120.464 Ave N Shift Values>> N :: 120.67(3.48) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.R80 1.R80 C Shift Assignments>> C :: 175.661 CA :: 54.472 CB :: 41.369 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 :: 8.434 HA :: 4.565 HB2 :: 2.662 HB3 :: 2.564 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 :: 122.237 Ave N Shift Values>> N :: 120.65(3.86) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.14 F 0.08 N 0.07 Y 0.05 C 0.05 R 0.03 C Shift Assignments>> C :: 176.621 CA :: 54.259 CB :: 41.535 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 :: 8.264 HA :: 4.546 HB2 :: 2.635 HB3 :: 2.635 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.410 Ave N Shift Values>> N :: 120.65(3.86) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.1 Q 0.08 M 0.05 I 0.04 HN Overlap>> 1.S108 1.S108 C Shift Assignments>> C :: 176.555 CA :: 57.382 CB :: 29.716 CG :: 35.978 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 :: 8.518 HA :: 4.126 HB2 :: 1.985 HB3 :: 1.915 HG2 :: 2.193 HG3 :: 2.181 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.755 Ave N Shift Values>> N :: 120.67(3.48) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.23 C 0.13 HN Overlap>> 1.F119 1.F119 C Shift Assignments>> C :: 175.359 CA :: 53.577 CB :: 38.810 CG :: 177.156 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 :: 8.432 HA :: 4.599 HB2 :: 2.756 HB3 :: 2.671 HD21 :: 7.673 HD22 :: 6.870 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 :: 118.284 ND2 :: 113.886 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.29 R 0.05 A 0.01 G 0.01 HN Overlap>> 1.E192 1.E192 C Shift Assignments>> C :: 177.518 CA :: 55.622 CB :: 42.153 CG :: 27.001 CD1 :: 25.257 CD2 :: 23.464 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 :: 8.022 HA :: 4.174 HB2 :: 1.638 HB3 :: 1.513 HG :: 1.561 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 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 :: 121.665 Ave N Shift Values>> N :: 121.86(3.9) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 K 0.09 Q 0.07 M 0.06 I 0.03 C Shift Assignments>> C :: 176.790 CA :: 56.701 CB :: 29.867 CG :: 36.187 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 :: 8.242 HA :: 4.206 HB2 :: 2.043 HB3 :: 1.899 HG2 :: 2.194 HG3 :: 2.194 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.836 Ave N Shift Values>> N :: 120.67(3.48) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> C :: 174.594 CA :: 58.771 CB :: 63.805 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.064 HA :: 4.283 HB2 :: 3.807 HB3 :: 3.739 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 :: 115.694 Ave N Shift Values>> N :: 116.28(3.52) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 N 0.12 F 0.11 Y 0.08 K 0.07 C 0.06 HN Overlap>> 1.I107 1.I107 C Shift Assignments>> C :: 176.290 CA :: 54.492 CB :: 40.863 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 :: 8.320 HA :: 4.488 HB2 :: 2.528 HB3 :: 2.527 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 :: 121.732 Ave N Shift Values>> N :: 120.65(3.86) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.F66 1.F66 C Shift Assignments>> C :: 176.040 CA :: 59.082 CB :: 38.576 CD1 :: 133.084 CD2 :: 133.076 CE1 :: 118.143 CE2 :: 118.143 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 :: 7.910 HA :: 4.219 HB2 :: 2.829 HB3 :: 2.752 HD1 :: 6.772 HD2 :: 6.774 HE1 :: 6.669 HE2 :: 6.669 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.841 Ave N Shift Values>> N :: 120.52(4.2) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 176.383 CA :: 58.509 CB :: 38.936 CD1 :: 131.637 CD2 :: 131.637 CE1 :: 131.459 CE2 :: 131.451 CZ :: 129.718 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 :: 8.043 HA :: 4.363 HB2 :: 3.134 HB3 :: 2.935 HD1 :: 7.197 HD2 :: 7.197 HE1 :: 7.292 HE2 :: 7.292 HZ :: 7.230 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 :: 119.249 Ave N Shift Values>> N :: 120.45(4.18) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.170 CA :: 45.586 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.899 HA2 :: 3.816 HA3 :: 3.816 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.920 Ave N Shift Values>> N :: 109.67(3.87) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.13 C Shift Assignments>> C :: 176.772 CA :: 56.307 CB :: 32.843 CG :: 24.843 CD :: 28.974 CE :: 42.145 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 :: 7.865 HA :: 4.238 HB2 :: 1.773 HB3 :: 1.631 HG2 :: 1.353 HG3 :: 1.312 HD2 :: 1.577 HD3 :: 1.577 HE2 :: 2.890 HE3 :: 2.890 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 :: 120.169 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>> L 0.64 C 0.28 R 0.04 A 0.01 HN Overlap>> 1.L174 1.L174 C Shift Assignments>> C :: 177.326 CA :: 55.389 CB :: 42.014 CG :: 26.948 CD1 :: 25.323 CD2 :: 23.455 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 :: 8.174 HA :: 4.181 HB2 :: 1.583 HB3 :: 1.460 HG :: 1.585 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 HD21 :: 0.755 HD22 :: 0.755 HD23 :: 0.755 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.280 Ave N Shift Values>> N :: 121.86(3.9) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 K 0.08 Q 0.07 M 0.06 I 0.04 C Shift Assignments>> C :: 176.467 CA :: 57.000 CB :: 29.898 CG :: 36.166 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 :: 8.315 HA :: 4.157 HB2 :: 1.981 HB3 :: 1.869 HG2 :: 2.194 HG3 :: 2.194 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 :: 120.560 Ave N Shift Values>> N :: 120.67(3.48) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S35 1.S35 C Shift Assignments>> C :: 173.761 CA :: 58.707 CB :: 63.596 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.074 HA :: 4.292 HB2 :: 3.725 HB3 :: 3.695 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.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.36 R 0.12 HN Overlap>> 1.I26 1.I26 C Shift Assignments>> C :: 175.083 CA :: 55.590 CB :: 34.165 CG :: 25.035 CD :: 29.016 CE :: 42.197 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 :: 8.166 HA :: 4.452 HB2 :: 1.712 HB3 :: 1.617 HG2 :: 1.332 HG3 :: 1.233 HD2 :: 1.480 HD3 :: 1.452 HE2 :: 2.805 HE3 :: 2.801 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 :: 120.964 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.36 C 0.15 HN Overlap>> 1.N62 1.N62 C Shift Assignments>> C :: 173.711 CA :: 54.185 CB :: 45.184 CG :: 26.795 CD1 :: 25.186 CD2 :: 24.718 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 :: 7.794 HA :: 4.534 HB2 :: 1.259 HB3 :: 1.209 HG :: 1.215 HD11 :: 0.154 HD12 :: 0.154 HD13 :: 0.154 HD21 :: 0.338 HD22 :: 0.338 HD23 :: 0.338 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 :: 119.143 Ave N Shift Values>> N :: 121.86(3.9) 1.S46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.6 T 0.39 C Shift Assignments>> C :: 172.978 CA :: 55.887 CB :: 67.275 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.713 HA :: 5.058 HB2 :: 2.929(S) HB3 :: 2.583(S) 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 :: 115.786 Ave N Shift Values>> N :: 116.28(3.52) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.16 A 0.01 C Shift Assignments>> C :: 173.291 CA :: 58.686 CB :: 36.038 CG1 :: 19.992 CG2 :: 21.472 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 :: 7.931 HA :: 4.569 HB :: 1.300 HG11 :: 0.484 HG12 :: 0.484 HG13 :: 0.484 HG21 :: 0.471 HG22 :: 0.471 HG23 :: 0.471 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 :: 120.435 Ave N Shift Values>> N :: 121.14(4.54) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.27 A 0.08 C Shift Assignments>> C :: 173.607 CA :: 57.329 CB :: 40.442 CG1 :: 29.203 CG2 :: 18.803 CD1 :: 14.599 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 :: 7.291 HA :: 4.834 HB :: 1.657 HG12 :: 1.380 HG13 :: 1.232 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 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 :: 122.792 Ave N Shift Values>> N :: 121.46(4.28) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.32 K 0.09 G 0.03 C Shift Assignments>> C :: 176.221 CA :: 54.812 CB :: 30.989 CG :: 26.919 CD :: 42.847 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 :: 8.347 HA :: 4.360 HB2 :: 1.767 HB3 :: 1.695 HG2 :: 1.601 HG3 :: 1.454 HD2 :: 2.969 HD3 :: 2.969 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 :: 126.996 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.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 C 0.2 D 0.02 C Shift Assignments>> C :: 175.021 CA :: 52.732 CB :: 37.126 CG :: 175.841 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 :: 9.075 HA :: 4.826 HB2 :: 3.086 HB3 :: 2.584 HD21 :: 7.787 HD22 :: 6.865 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 :: 121.791 ND2 :: 110.039 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.21 R 0.07 A 0.03 G 0.03 C Shift Assignments>> C :: 177.032 CA :: 54.190 CB :: 42.673 CG :: 27.292 CD1 :: 25.282 CD2 :: 23.348 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 :: 7.294 HA :: 4.424 HB2 :: 1.567 HB3 :: 1.459 HG :: 1.451 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 124.662 Ave N Shift Values>> N :: 121.86(3.9) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.3 D 0.16 E 0.02 C Shift Assignments>> C :: 174.110 CA :: 54.285 CB :: 37.422 CG :: 178.291 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 :: 9.057 HA :: 4.276 HB2 :: 2.837 HB3 :: 2.704 HD21 :: 7.620 HD22 :: 6.888 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 :: 118.906 ND2 :: 113.823 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.21 D 0.18 N 0.12 C 0.12 L 0.09 I 0.02 C Shift Assignments>> C :: 175.290 CA :: 55.899 CB :: 39.469 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 :: 8.460 HA :: 4.522 HB2 :: 2.843 HB3 :: 2.617 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 :: 113.240 Ave N Shift Values>> N :: 120.65(3.86) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.52 C 0.46 E 0.01 C Shift Assignments>> C :: 173.693 CA :: 56.063 CB :: 28.160 CG :: 32.841 CD :: 179.898 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 :: 7.369 HA :: 4.548 HB2 :: 2.463 HB3 :: 2.016 HG2 :: 2.786 HG3 :: 2.292 HE21 :: 7.902 HE22 :: 6.577 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 :: 112.649 NE2 :: 107.681 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 174.338 CA :: 61.246 CB :: 33.716 CG1 :: 21.827 CG2 :: 22.011 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 :: 7.806 HA :: 5.023 HB :: 1.701 HG11 :: 0.652 HG12 :: 0.652 HG13 :: 0.652 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 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 :: 120.811 Ave N Shift Values>> N :: 121.14(4.54) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.31 C 0.13 C Shift Assignments>> C :: 174.057 CA :: 53.068 CB :: 45.733 CG :: 26.834 CD1 :: 24.660 CD2 :: 24.441 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 :: 8.892 HA :: 4.613 HB2 :: 1.330 HB3 :: 1.330 HG :: 1.320 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 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 :: 128.028 Ave N Shift Values>> N :: 121.86(3.9) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 HN Overlap>> 1.N123 1.Y24 1.N123 1.Y24 C Shift Assignments>> C :: 176.044 CA :: 56.637 CB :: 40.028 CD1 :: 132.272 CD2 :: 132.272 CE1 :: 131.199 CE2 :: 131.216 CZ :: 129.508 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 :: 8.596 HA :: 5.242 HB2 :: 2.954 HB3 :: 2.842 HD1 :: 7.288 HD2 :: 7.288 HE1 :: 7.290 HE2 :: 7.291 HZ :: 7.121 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 :: 122.854 Ave N Shift Values>> N :: 120.45(4.18) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 174.202 CA :: 59.089 CB :: 40.335 CG1 :: 26.678 CG2 :: 17.504 CD1 :: 12.936 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 :: 9.111 HA :: 4.491 HB :: 1.775 HG12 :: 1.199 HG13 :: 0.900 HG21 :: 0.693 HG22 :: 0.693 HG23 :: 0.693 HD11 :: 0.565 HD12 :: 0.565 HD13 :: 0.565 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 :: 121.989 Ave N Shift Values>> N :: 121.46(4.28) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.26 K 0.11 N 0.08 R 0.05 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.390 CA :: 53.059 CB :: 41.911 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 :: 8.651 HA :: 4.732 HB2 :: 2.678 HB3 :: 2.564 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 :: 125.606 Ave N Shift Values>> N :: 120.65(3.86) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.48 C 0.48 E 0.03 HN Overlap>> 1.D8 1.D8 C Shift Assignments>> C :: 176.697 CA :: 57.473 CB :: 28.334 CG :: 33.316 CD :: 179.596 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 :: 8.309 HA :: 3.848 HB2 :: 1.930 HB3 :: 1.737 HG2 :: 2.094 HG3 :: 2.099 HE21 :: 7.200 HE22 :: 6.682 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 :: 121.973 NE2 :: 111.172 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.177 CA :: 45.607 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.485 HA2 :: 3.845 HA3 :: 3.855 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.014 Ave N Shift Values>> N :: 109.67(3.87) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.19 C 0.08 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> C :: 174.307 CA :: 52.341 CB :: 38.930 CG :: 177.159 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 :: 7.829 HA :: 4.779 HB2 :: 2.748 HB3 :: 2.666 HD21 :: 7.578 HD22 :: 6.810 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 :: 119.154 ND2 :: 112.239 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.32 K 0.06 G 0.06 L 0.02 C Shift Assignments>> C :: 174.064 CA :: 55.298 CB :: 29.804 CG :: 26.988 CD :: 43.243 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 :: 8.094 HA :: 4.332 HB2 :: 1.728 HB3 :: 1.677 HG2 :: 1.551 HG3 :: 1.551 HD2 :: 3.100 HD3 :: 3.100 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 :: 122.081 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.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.127 CA :: 63.039 CB :: 31.664 CG :: 27.313 CD :: 50.453 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 :: 4.268 HB2 :: 2.032 HB3 :: 1.426 HG2 :: 1.803 HG3 :: 1.707 HD2 :: 3.672 HD3 :: 3.387 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.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.27 R 0.02 A 0.01 HN Overlap>> 1.H145 1.H145 C Shift Assignments>> C :: 177.298 CA :: 55.073 CB :: 41.856 CG :: 26.989 CD1 :: 24.896 CD2 :: 23.740 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 :: 7.989 HA :: 4.121 HB2 :: 1.460 HB3 :: 1.343 HG :: 1.455 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.721 HD22 :: 0.721 HD23 :: 0.721 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 :: 120.244 Ave N Shift Values>> N :: 121.86(3.9) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 HN Overlap>> 1.Y37 1.Y37 C Shift Assignments>> C :: 176.179 CA :: 58.259 CB :: 39.263 CD1 :: 131.927 CD2 :: 131.927 CE1 :: 130.929 CE2 :: 130.926 CZ :: 129.025 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 :: 7.943 HA :: 4.410 HB2 :: 3.034 HB3 :: 2.854 HD1 :: 7.117 HD2 :: 7.117 HE1 :: 7.102 HE2 :: 7.103 HZ :: 6.972 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 :: 119.803 Ave N Shift Values>> N :: 120.45(4.18) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.07 K 0.06 Q 0.04 I 0.04 C Shift Assignments>> C :: 176.195 CA :: 57.172 CB :: 30.150 CG :: 36.363 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 :: 8.417 HA :: 4.089 HB2 :: 1.921 HB3 :: 1.816 HG2 :: 2.125 HG3 :: 2.125 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 :: 121.048 Ave N Shift Values>> N :: 120.67(3.48) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.1 F 0.1 K 0.09 Y 0.08 C 0.06 R 0.01 HN Overlap>> 1.V6 1.V6 C Shift Assignments>> C :: 176.495 CA :: 54.514 CB :: 41.017 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 :: 8.135 HA :: 4.503 HB2 :: 2.651 HB3 :: 2.535 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 :: 120.423 Ave N Shift Values>> N :: 120.65(3.86) 1.M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.38 A 0.11 C Shift Assignments>> C :: 176.525 CA :: 55.811 CB :: 32.922 CG :: 32.080 CE :: 17.054 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 :: 8.146 HA :: 4.423 HB2 :: 2.047 HB3 :: 1.925 HG2 :: 2.532 HG3 :: 2.428 HE1 :: 1.947 HE2 :: 1.947 HE3 :: 1.947 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 :: 120.662 Ave N Shift Values>> N :: 120.09(3.57) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.D178 1.D178 C Shift Assignments>> C :: 174.430 CA :: 62.244 CB :: 69.822 CG2 :: 21.507 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 :: 8.089 HA :: 4.207 HB :: 4.140 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 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 :: 114.303 Ave N Shift Values>> N :: 115.42(4.75) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 N 0.1 F 0.1 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.452 CA :: 54.438 CB :: 41.124 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 :: 8.268 HA :: 4.559 HB2 :: 2.664 HB3 :: 2.576 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 :: 122.548 Ave N Shift Values>> N :: 120.65(3.86) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.516 CA :: 58.873 CB :: 63.706 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.169 HA :: 4.297 HB2 :: 3.836 HB3 :: 3.750 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 :: 116.055 Ave N Shift Values>> N :: 116.28(3.52) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 F 0.1 K 0.1 N 0.1 Y 0.08 C 0.05 R 0.01 HN Overlap>> 1.Q92 1.D8 1.R80 1.Q92 1.D8 1.R80 C Shift Assignments>> C :: 176.241 CA :: 54.529 CB :: 41.071 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 :: 8.332 HA :: 4.553 HB2 :: 2.660 HB3 :: 2.596 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 :: 122.129 Ave N Shift Values>> N :: 120.65(3.86) 1.C74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 R 0.18 I 0.15 Q 0.11 K 0.09 E 0.08 H 0.08 L 0.07 C Shift Assignments>> C :: 174.878 CA :: 58.702 CB :: 27.638 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.146 HA :: 4.413 HB2 :: 2.865 HB3 :: 2.865 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.192 Ave N Shift Values>> N :: 120.17(4.64) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.4 G 0.05 K 0.04 C Shift Assignments>> C :: 176.137 CA :: 56.495 CB :: 30.500 CG :: 26.992 CD :: 43.257 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 :: 8.327 HA :: 4.234 HB2 :: 1.808 HB3 :: 1.711 HG2 :: 1.551 HG3 :: 1.552 HD2 :: 3.111 HD3 :: 3.121 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.165 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.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 F 0.1 N 0.1 K 0.1 Y 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 175.741 CA :: 54.597 CB :: 41.029 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 :: 8.216 HA :: 4.476 HB2 :: 2.637 HB3 :: 2.524 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 :: 120.152 Ave N Shift Values>> N :: 120.65(3.86) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.25 C 0.1 C Shift Assignments>> C :: 174.271 CA :: 53.072 CB :: 39.125 CG :: 177.201 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 :: 8.106 HA :: 4.571 HB2 :: 2.732 HB3 :: 2.667 HD21 :: 7.507 HD22 :: 6.825 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 :: 117.851 ND2 :: 112.939 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 174.920 CA :: 50.492 CB :: 18.125 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.081 HA :: 4.515 HB1 :: 1.242 HB2 :: 1.242 HB3 :: 1.242 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.394 Ave N Shift Values>> N :: 123.23(3.54) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.639 CA :: 62.888 CB :: 32.001 CG :: 27.543 CD :: 50.373 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 :: 4.364 HB2 :: 2.148 HB3 :: 1.822 HG2 :: 1.929 HG3 :: 1.886 HD2 :: 3.663 HD3 :: 3.529 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.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 G 0.08 K 0.06 HN Overlap>> 1.D73 1.D73 1.D29 1.D29 C Shift Assignments>> C :: 175.629 CA :: 55.964 CB :: 31.527 CG :: 27.279 CD :: 43.500 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 :: 8.343 HA :: 4.290 HB2 :: 1.742 HB3 :: 1.733 HG2 :: 1.617 HG3 :: 1.617 HD2 :: 3.176 HD3 :: 3.176 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 :: 122.228 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.T81 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 :: 173.322 CA :: 63.250 CB :: 69.217 CG2 :: 22.638 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 :: 8.106 HA :: 4.885 HB :: 3.735 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 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 :: 119.530 Ave N Shift Values>> N :: 115.42(4.75) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 HN Overlap>> 1.N12 1.N12 C Shift Assignments>> C :: 173.264 CA :: 59.252 CB :: 41.468 CG1 :: 27.346 CG2 :: 17.511 CD1 :: 12.948 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 :: 8.611 HA :: 4.628 HB :: 1.598 HG12 :: 1.296 HG13 :: 1.113 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 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 :: 125.840 Ave N Shift Values>> N :: 121.46(4.28) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.21 G 0.01 C Shift Assignments>> C :: 173.121 CA :: 57.855 CB :: 42.217 CD1 :: 131.411 CD2 :: 131.437 CE1 :: 129.819 CE2 :: 129.819 CZ :: 129.762 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 :: 9.123 HA :: 4.638 HB2 :: 3.299 HB3 :: 2.852 HD1 :: 6.981 HD2 :: 6.981 HE1 :: 6.770 HE2 :: 6.770 HZ :: 6.670 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 :: 130.525 Ave N Shift Values>> N :: 120.45(4.18) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.357 CA :: 60.721 CB :: 40.066 CG1 :: 27.510 CG2 :: 17.304 CD1 :: 14.579 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 :: 8.834 HA :: 4.551 HB :: 1.365 HG12 :: 1.335 HG13 :: 0.626 HG21 :: 0.511 HG22 :: 0.511 HG23 :: 0.511 HD11 :: 0.491 HD12 :: 0.491 HD13 :: 0.491 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 :: 126.816 Ave N Shift Values>> N :: 121.46(4.28) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 HN Overlap>> 1.E166 1.E166 C Shift Assignments>> C :: 175.017 CA :: 60.424 CB :: 38.981 CG1 :: 28.392 CG2 :: 18.843 CD1 :: 16.075 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 :: 8.866 HA :: 4.319 HB :: 1.520 HG12 :: 1.182 HG13 :: 0.693 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 HD11 :: 0.556 HD12 :: 0.556 HD13 :: 0.556 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 :: 129.292 Ave N Shift Values>> N :: 121.46(4.28) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.509 CA :: 57.332 CB :: 63.432 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.751 HA :: 4.966 HB2 :: 3.673 HB3 :: 3.477 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 :: 123.379 Ave N Shift Values>> N :: 116.28(3.52) 1.M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.35 A 0.15 C Shift Assignments>> C :: 175.896 CA :: 55.444 CB :: 34.803 CG :: 31.909 CE :: 17.185 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 :: 8.737 HA :: 4.764 HB2 :: 2.104 HB3 :: 2.080 HG2 :: 2.606 HG3 :: 2.449 HE1 :: 2.005 HE2 :: 2.005 HE3 :: 2.005 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 :: 122.592 Ave N Shift Values>> N :: 120.09(3.57) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.444 CA :: 58.084 CB :: 38.751 CD1 :: 133.071 CD2 :: 133.071 CE1 :: 117.754 CE2 :: 117.754 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 :: 8.448 HA :: 4.590 HB2 :: 3.073 HB3 :: 2.763 HD1 :: 6.965 HD2 :: 6.965 HE1 :: 6.567 HE2 :: 6.567 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 :: 123.252 Ave N Shift Values>> N :: 120.52(4.2) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.12 C Shift Assignments>> C :: 176.432 CA :: 57.571 CB :: 32.705 CG :: 25.019 CD :: 29.017 CE :: 42.118 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 :: 8.593 HA :: 4.217 HB2 :: 1.845 HB3 :: 1.789 HG2 :: 1.420 HG3 :: 1.406 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.935 HE3 :: 2.935 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 :: 121.955 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.11 N 0.1 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.935 CA :: 54.260 CB :: 41.208 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 :: 8.235 HA :: 4.612 HB2 :: 2.644 HB3 :: 2.587 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 :: 119.274 Ave N Shift Values>> N :: 120.65(3.86) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.079 CA :: 59.098 CB :: 63.657 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.482 HA :: 4.452 HB2 :: 3.818 HB3 :: 3.822 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 :: 118.144 Ave N Shift Values>> N :: 116.28(3.52) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.64 C 0.31 E 0.03 HN Overlap>> 1.D73 1.D73 1.D8 1.D8 C Shift Assignments>> C :: 175.251 CA :: 53.491 CB :: 28.980 CG :: 33.587 CD :: 179.945 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 :: 8.325 HA :: 4.740 HB2 :: 2.289 HB3 :: 2.051 HG2 :: 2.412 HG3 :: 2.287 HE21 :: 7.518 HE22 :: 6.826 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 :: 122.101 NE2 :: 113.246 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 178.065 CA :: 65.545 CB :: 31.803 CG :: 27.611 CD :: 50.403 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 :: 4.209 HB2 :: 2.254 HB3 :: 1.779 HG2 :: 2.015 HG3 :: 1.906 HD2 :: 3.728 HD3 :: 3.728 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.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.08 K 0.03 L 0.01 HN Overlap>> 1.S184 1.S184 C Shift Assignments>> C :: 175.010 CA :: 56.342 CB :: 29.917 CG :: 27.465 CD :: 43.547 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 :: 7.625 HA :: 4.049 HB2 :: 1.301 HB3 :: 0.879 HG2 :: 1.324 HG3 :: 1.348 HD2 :: 3.034 HD3 :: 2.905 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 :: 113.298 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.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.256 CA :: 44.663 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.592 HA2 :: 4.239 HA3 :: 3.740 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.057 Ave N Shift Values>> N :: 109.67(3.87) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.31 A 0.15 HN Overlap>> 1.D126 1.D126 C Shift Assignments>> C :: 175.125 CA :: 54.927 CB :: 32.990 CG :: 31.601 CE :: 16.657 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 :: 8.704 HA :: 4.775 HB2 :: 2.217 HB3 :: 2.126 HG2 :: 2.604 HG3 :: 2.604 HE1 :: 2.060 HE2 :: 2.060 HE3 :: 2.060 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 :: 120.502 Ave N Shift Values>> N :: 120.09(3.57) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.04 C 0.03 M 0.01 C Shift Assignments>> C :: 176.755 CA :: 51.705 CB :: 20.693 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.841 HA :: 4.979 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.858 Ave N Shift Values>> N :: 123.23(3.54) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.11 A 0.02 C Shift Assignments>> C :: 175.599 CA :: 58.471 CB :: 36.198 CG1 :: 22.520 CG2 :: 19.594 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 :: 9.528 HA :: 5.940 HB :: 2.292 HG11 :: 0.982 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.926 Ave N Shift Values>> N :: 121.14(4.54) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.3 C Shift Assignments>> C :: 173.218 CA :: 60.990 CB :: 72.546 CG2 :: 21.921 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 :: 8.689 HA :: 4.965 HB :: 4.191 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 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 :: 110.881 Ave N Shift Values>> N :: 115.42(4.75) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 174.361 CA :: 59.649 CB :: 39.698 CG1 :: 27.843 CG2 :: 18.483 CD1 :: 12.341 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 :: 10.368 HA :: 4.601 HB :: 1.314 HG12 :: 0.797 HG13 :: 0.468 HG21 :: -0.015 HG22 :: -0.015 HG23 :: -0.015 HD11 :: -0.260 HD12 :: -0.260 HD13 :: -0.260 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 :: 126.939 Ave N Shift Values>> N :: 121.46(4.28) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 170.664 CA :: 56.371 CB :: 66.453 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.090 HA :: 5.399 HB2 :: 3.791 HB3 :: 3.112 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 :: 120.341 Ave N Shift Values>> N :: 116.28(3.52) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.36 C Shift Assignments>> C :: 174.546 CA :: 59.271 CB :: 35.223 CG1 :: 21.323 CG2 :: 21.944 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 :: 8.924 HA :: 4.830 HB :: 1.029 HG11 :: 0.162 HG12 :: 0.162 HG13 :: 0.162 HG21 :: 0.368 HG22 :: 0.368 HG23 :: 0.368 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.761 Ave N Shift Values>> N :: 121.14(4.54) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.11 G 0.01 C Shift Assignments>> C :: 174.787 CA :: 54.238 CB :: 35.807 CG :: 24.785 CD :: 29.432 CE :: 42.056 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 :: 4.764 HB2 :: 1.568 HB3 :: 1.190 HG2 :: 1.075 HG3 :: 0.870 HD2 :: 1.231 HD3 :: 1.180 HE2 :: 2.682 HE3 :: 2.684 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 :: 127.077 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 I 0.23 K 0.18 R 0.12 L 0.07 Q 0.03 H 0.02 P 0.01 E 0.01 C Shift Assignments>> C :: 174.181 CA :: 59.761 CB :: 25.788 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.899 HA :: 4.644 HB2 :: 2.834 HB3 :: 2.707 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.819 Ave N Shift Values>> N :: 120.17(4.64) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.27 I 0.27 K 0.03 Q 0.01 C Shift Assignments>> C :: 175.985 CA :: 60.045 CB :: 29.341 CG :: 36.735 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 :: 9.039 HA :: 4.081 HB2 :: 2.111 HB3 :: 2.111 HG2 :: 2.285 HG3 :: 2.218 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 :: 124.533 Ave N Shift Values>> N :: 120.67(3.48) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.36 R 0.03 A 0.01 C Shift Assignments>> C :: 175.609 CA :: 53.950 CB :: 34.991 CG :: 24.364 CD :: 28.979 CE :: 41.922 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 :: 7.938 HA :: 4.507 HB2 :: 1.754 HB3 :: 1.621 HG2 :: 1.262 HG3 :: 1.201 HD2 :: 1.543 HD3 :: 1.543 HE2 :: 2.860 HE3 :: 2.860 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 :: 117.398 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 HN Overlap>> 1.D36 1.D36 C Shift Assignments>> C :: 175.315 CA :: 61.024 CB :: 38.307 CG1 :: 28.581 CG2 :: 17.682 CD1 :: 13.027 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 :: 8.312 HA :: 4.708 HB :: 1.654 HG12 :: 1.466 HG13 :: 0.676 HG21 :: 0.693 HG22 :: 0.693 HG23 :: 0.693 HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 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 :: 121.833 Ave N Shift Values>> N :: 121.46(4.28) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 173.377 CA :: 57.253 CB :: 65.597 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.577 HA :: 5.248 HB2 :: 3.673 HB3 :: 3.220 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 :: 121.784 Ave N Shift Values>> N :: 116.28(3.52) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.421 CA :: 63.566 CB :: 71.805 CG2 :: 21.634 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 :: 9.556 HA :: 4.812 HB :: 3.656 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 :: 121.878 Ave N Shift Values>> N :: 115.42(4.75) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.28 R 0.27 G 0.03 C Shift Assignments>> C :: 174.306 CA :: 56.412 CB :: 42.798 CG :: 27.132 CD1 :: 27.041 CD2 :: 26.787 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 :: 8.938 HA :: 3.643 HB2 :: 1.572 HB3 :: 0.926 HG :: 1.006 HD11 :: 0.362 HD12 :: 0.362 HD13 :: 0.362 HD21 :: 0.417 HD22 :: 0.417 HD23 :: 0.417 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.094 Ave N Shift Values>> N :: 121.86(3.9) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.433 CA :: 55.046 CB :: 65.299 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.630 HA :: 5.046 HB2 :: 3.437 HB3 :: 3.423 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 :: 117.822 Ave N Shift Values>> N :: 116.28(3.52) 1.C112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 K 0.16 H 0.16 E 0.13 R 0.13 C 0.12 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 173.780 CA :: 55.916 CB :: 29.211 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.695 HA :: 5.690 HB2 :: 2.888 HB3 :: 2.454 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.239 Ave N Shift Values>> N :: 120.17(4.64) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.31 Q 0.12 K 0.12 M 0.05 I 0.04 C Shift Assignments>> C :: 177.137 CA :: 57.991 CB :: 29.791 CG :: 35.599 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 :: 7.963 HA :: 4.002 HB2 :: 1.782 HB3 :: 1.782 HG2 :: 2.104 HG3 :: 2.104 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 :: 123.422 Ave N Shift Values>> N :: 120.67(3.48) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 N 0.36 D 0.11 E 0.07 Q 0.01 C Shift Assignments>> C :: 173.172 CA :: 55.025 CB :: 37.025 CG :: 178.392 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.641 HA :: 4.124 HB2 :: 2.894 HB3 :: 2.851 HD21 :: 7.522 HD22 :: 6.865 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 :: 118.900 ND2 :: 114.166 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 K 0.25 R 0.18 C Shift Assignments>> C :: 173.777 CA :: 58.188 CB :: 29.126 CG :: 24.396 CD :: 29.472 CE :: 42.056 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 :: 8.172 HA :: 2.825 HB2 :: 1.546 HB3 :: 1.502 HG2 :: -0.155(S) HG3 :: -0.463(S) HD2 :: 0.873(S) HD3 :: 0.873(S) HE2 :: 2.180(S) HE3 :: 2.088(S) 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 :: 110.463 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> C :: 174.742 CA :: 59.220 CB :: 41.325 CG1 :: 26.447 CG2 :: 17.508 CD1 :: 13.154 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 :: 7.012 HA :: 4.214 HB :: 1.677 HG12 :: 1.316 HG13 :: 0.934 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 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 :: 118.757 Ave N Shift Values>> N :: 121.46(4.28) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.23 A 0.01 C Shift Assignments>> C :: 176.359 CA :: 58.730 CB :: 35.500 CG1 :: 26.786 CG2 :: 18.019 CD1 :: 10.836 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 :: 8.326 HA :: 4.554 HB :: 1.945 HG12 :: 1.467 HG13 :: 1.087 HG21 :: 0.564 HG22 :: 0.564 HG23 :: 0.564 HD11 :: 0.506 HD12 :: 0.506 HD13 :: 0.506 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 :: 122.906 Ave N Shift Values>> N :: 121.46(4.28) 1.S118 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 :: 171.203 CA :: 57.031 CB :: 65.769 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.916 HA :: 4.696 HB2 :: 3.666 HB3 :: 3.696 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 :: 124.161 Ave N Shift Values>> N :: 116.28(3.52) 1.F119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.22 HN Overlap>> 1.N32 1.N32 C Shift Assignments>> C :: 175.592 CA :: 57.363 CB :: 41.762 CD1 :: 131.860 CD2 :: 131.860 CE1 :: 131.229 CE2 :: 131.212 CZ :: 129.267 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 :: 8.502 HA :: 4.990 HB2 :: 2.929 HB3 :: 2.753 HD1 :: 6.930 HD2 :: 6.930 HE1 :: 6.983 HE2 :: 6.983 HZ :: 6.875 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 :: 118.350 Ave N Shift Values>> N :: 120.45(4.18) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.39 R 0.09 G 0.01 C Shift Assignments>> C :: 176.268 CA :: 54.475 CB :: 35.578 CG :: 24.748 CD :: 29.169 CE :: 41.986 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.949 HA :: 4.626 HB2 :: 1.712 HB3 :: 1.585 HG2 :: 1.307 HG3 :: 1.307 HD2 :: 1.573 HD3 :: 1.491 HE2 :: 2.843 HE3 :: 2.842 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 :: 121.950 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.1 K 0.09 Q 0.05 C Shift Assignments>> C :: 174.267 CA :: 56.876 CB :: 28.298 CG :: 36.430 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 :: 8.912 HA :: 4.496 HB2 :: 2.006 HB3 :: 1.868 HG2 :: 2.196 HG3 :: 2.086 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 :: 125.688 Ave N Shift Values>> N :: 120.67(3.48) 1.M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.37 A 0.19 C Shift Assignments>> C :: 173.781 CA :: 55.416 CB :: 34.455 CG :: 30.487 CE :: 17.297 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 :: 7.983 HA :: 4.457 HB2 :: 1.975 HB3 :: 1.975 HG2 :: 2.324 HG3 :: 2.145 HE1 :: 1.949 HE2 :: 1.949 HE3 :: 1.949 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 :: 125.103 Ave N Shift Values>> N :: 120.09(3.57) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.84 C 0.14 D 0.01 HN Overlap>> 1.Y24 1.F57 1.Y24 1.F57 C Shift Assignments>> C :: 172.476 CA :: 50.840 CB :: 37.361 CG :: 175.702 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 :: 8.679 HA :: 4.652 HB2 :: 2.497 HB3 :: 2.440 HD21 :: 7.512 HD22 :: 6.792 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.862 ND2 :: 112.142 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 A 0.12 N 0.05 D 0.01 C 0.01 C Shift Assignments>> CD :: 49.556 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>> HD2 :: 3.375 HD3 :: 3.263 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.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.31 R 0.05 K 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 176.875 CA :: 62.342 CB :: 32.391 CG :: 27.380 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 :: 4.379 HB2 :: 2.216 HB3 :: 1.881 HG2 :: 1.803 HG3 :: 1.721 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.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.2 F 0.15 Y 0.12 K 0.12 C 0.07 N 0.05 I 0.01 R 0.01 HN Overlap>> 1.M96 1.M96 C Shift Assignments>> C :: 175.581 CA :: 55.602 CB :: 40.980 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 :: 8.616 HA :: 4.444 HB2 :: 2.662 HB3 :: 2.600 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 :: 120.547 Ave N Shift Values>> N :: 120.65(3.86) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.37 C 0.07 C Shift Assignments>> C :: 174.501 CA :: 52.107 CB :: 40.988 CG :: 176.767 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 :: 7.637 HA :: 4.737 HB2 :: 2.748 HB3 :: 2.655 HD21 :: 7.649 HD22 :: 6.870 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 :: 114.250 ND2 :: 114.139 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 176.460 CA :: 61.045 CB :: 38.394 CG1 :: 27.075 CG2 :: 17.035 CD1 :: 13.663 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 :: 8.499 HA :: 3.914 HB :: 1.462 HG12 :: 0.867 HG13 :: 0.629 HG21 :: 0.284 HG22 :: 0.284 HG23 :: 0.284 HD11 :: 0.304 HD12 :: 0.304 HD13 :: 0.304 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 :: 119.999 Ave N Shift Values>> N :: 121.46(4.28) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.14 C Shift Assignments>> C :: 176.598 CA :: 57.856 CB :: 32.178 CG :: 24.658 CD :: 28.936 CE :: 42.034 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 :: 8.193 HA :: 4.011 HB2 :: 1.667 HB3 :: 1.667 HG2 :: 1.312 HG3 :: 1.282 HD2 :: 1.561 HD3 :: 1.561 HE2 :: 2.888 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 :: 122.835 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 N 0.09 F 0.07 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 175.526 CA :: 53.808 CB :: 41.514 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 :: 7.762 HA :: 4.642 HB2 :: 2.737 HB3 :: 2.430 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 :: 117.819 Ave N Shift Values>> N :: 120.65(3.86) 1.T131 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 :: 173.590 CA :: 62.100 CB :: 69.977 CG2 :: 21.863 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 :: 7.405 HA :: 4.092 HB :: 3.882 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 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 :: 114.030 Ave N Shift Values>> N :: 115.42(4.75) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.36 R 0.1 C Shift Assignments>> C :: 176.676 CA :: 55.526 CB :: 32.940 CG :: 24.843 CD :: 28.873 CE :: 41.852 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 :: 8.018 HA :: 4.173 HB2 :: 1.763 HB3 :: 1.617 HG2 :: 1.371 HG3 :: 1.302 HD2 :: 1.571 HD3 :: 1.571 HE2 :: 2.878 HE3 :: 2.878 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.571 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.669 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.132 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 :: 115.197 Ave N Shift Values>> N :: 116.28(3.52) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.22 Y 0.2 D 0.19 L 0.12 C 0.11 N 0.09 I 0.03 K 0.01 C Shift Assignments>> C :: 174.849 CA :: 56.117 CB :: 39.861 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 :: 4.188 HB2 :: 2.631 HB3 :: 2.494 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.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.305 CA :: 60.026 CB :: 38.813 CG1 :: 25.917 CG2 :: 16.600 CD1 :: 14.911 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 :: 6.952 HA :: 5.098 HB :: 2.186 HG12 :: 1.022 HG13 :: 1.053 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 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 :: 108.724 Ave N Shift Values>> N :: 121.46(4.28) 1.I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.441 CA :: 59.773 CB :: 37.742 CG1 :: 26.996 CG2 :: 17.665 CD1 :: 12.374 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 :: 7.085 HA :: 4.587 HB :: 1.446 HG12 :: 1.217 HG13 :: 0.784 HG21 :: 0.387 HG22 :: 0.387 HG23 :: 0.387 HD11 :: 0.409 HD12 :: 0.409 HD13 :: 0.409 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 :: 121.661 Ave N Shift Values>> N :: 121.46(4.28) 1.F137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.15 G 0.08 C Shift Assignments>> C :: 173.236 CA :: 55.842 CB :: 43.086 CD1 :: 131.477 CD2 :: 131.468 CE1 :: 130.695 CE2 :: 130.661 CZ :: 128.690 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 :: 9.288 HA :: 4.768 HB2 :: 2.778 HB3 :: 2.622 HD1 :: 6.884 HD2 :: 6.883 HE1 :: 6.973 HE2 :: 6.973 HZ :: 6.752 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 :: 128.552 Ave N Shift Values>> N :: 120.45(4.18) 1.F138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 C Shift Assignments>> C :: 176.395 CA :: 56.146 CB :: 41.020 CD1 :: 130.761 CD2 :: 130.761 CE1 :: 130.763 CE2 :: 130.763 CZ :: 129.274 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 :: 9.906 HA :: 5.544 HB2 :: 2.956 HB3 :: 2.557 HD1 :: 6.784 HD2 :: 6.784 HE1 :: 7.066 HE2 :: 7.066 HZ :: 7.112 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 :: 117.924 Ave N Shift Values>> N :: 120.45(4.18) 1.Q139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Q 0.34 N 0.04 E 0.04 C Shift Assignments>> C :: 175.824 CA :: 55.649 CB :: 30.606 CG :: 34.663 CD :: 177.701 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 :: 9.084 HA :: 4.749 HB2 :: 2.132 HB3 :: 2.066 HG2 :: 2.274 HG3 :: 2.149 HE21 :: 6.637 HE22 :: 6.496 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 :: 123.130 NE2 :: 107.586 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.34 G 0.14 K 0.07 C Shift Assignments>> C :: 175.447 CA :: 53.624 CB :: 33.903 CG :: 26.977 CD :: 43.285 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 :: 8.898 HA :: 4.857 HB2 :: 2.121 HB3 :: 1.777 HG2 :: 1.830 HG3 :: 1.811 HD2 :: 3.404 HD3 :: 3.213 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 :: 125.327 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.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q150 1.Q150 C Shift Assignments>> C :: 173.780 CA :: 58.844 CB :: 63.752 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.551 HA :: 4.613 HB2 :: 3.821 HB3 :: 3.817 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 :: 117.467 Ave N Shift Values>> N :: 116.28(3.52) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 174.635 CA :: 59.688 CB :: 33.186 CG1 :: 21.215 CG2 :: 22.308 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 :: 8.473 HA :: 4.046 HB :: 1.990 HG11 :: 0.681 HG12 :: 0.681 HG13 :: 0.681 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 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 :: 124.922 Ave N Shift Values>> N :: 121.14(4.54) 1.P143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 177.840 CA :: 64.291 CB :: 31.444 CG :: 27.675 CD :: 51.154 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 :: 4.164 HB2 :: 2.177 HB3 :: 1.802 HG2 :: 2.034 HG3 :: 1.851 HD2 :: 3.909 HD3 :: 3.477 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.G144 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 :: 173.885 CA :: 45.444 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.665 HA2 :: 3.995 HA3 :: 3.502 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.235 Ave N Shift Values>> N :: 109.67(3.87) 1.H145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.65 C 0.34 HN Overlap>> 1.L65 1.L65 C Shift Assignments>> C :: 174.376 CA :: 54.068 CB :: 31.070 CD2 :: 119.143 CE1 :: 137.249 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 :: 8.033 HA :: 4.626 HB2 :: 2.643 HB3 :: 2.622 HD2 :: 7.004 HE1 :: 7.859 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 :: 120.203 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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 :: 175.959 CA :: 56.696 CB :: 40.617 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 :: 8.553 HA :: 4.341 HB2 :: 2.576 HB3 :: 2.500 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 :: 122.181 Ave N Shift Values>> N :: 120.65(3.86) 1.N147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.17 C 0.15 C Shift Assignments>> C :: 174.180 CA :: 52.691 CB :: 37.793 CG :: 178.150 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 :: 8.056 HA :: 4.680 HB2 :: 3.154 HB3 :: 2.752 HD21 :: 7.603 HD22 :: 6.891 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 :: 114.508 ND2 :: 111.745 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.3 K 0.26 G 0.02 C Shift Assignments>> C :: 174.761 CA :: 54.797 CB :: 36.097 CG :: 25.800 CD :: 28.378 CE :: 42.502 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 :: 7.560 HA :: 5.109 HB2 :: 1.525 HB3 :: 1.497 HG2 :: 1.290 HG3 :: 1.076 HD2 :: 1.465 HD3 :: 1.080 HE2 :: 2.718 HE3 :: 2.585 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 :: 117.155 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 M 0.36 C 0.24 C Shift Assignments>> C :: 172.915 CA :: 53.861 CB :: 35.706 CG :: 31.443 CE :: 17.419 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 :: 8.713 HA :: 5.002 HB2 :: 1.729 HB3 :: 1.578 HG2 :: 2.288 HG3 :: 2.135 HE1 :: 1.877 HE2 :: 1.877 HE3 :: 1.877 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.674 Ave N Shift Values>> N :: 120.09(3.57) 1.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Q 0.48 HN Overlap>> 1.S141 1.S141 C Shift Assignments>> C :: 174.015 CA :: 52.587 CB :: 31.264 CG :: 32.688 CD :: 179.640 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 :: 8.552 HA :: 4.832 HB2 :: 2.712 HB3 :: 1.767 HG2 :: 2.173 HG3 :: 2.014 HE21 :: 7.223 HE22 :: 6.642 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 :: 117.489 NE2 :: 110.894 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.2 G 0.02 C Shift Assignments>> C :: 173.838 CA :: 57.742 CB :: 42.492 CD1 :: 131.746 CD2 :: 131.729 CE1 :: 131.327 CE2 :: 131.327 CZ :: 128.765 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 :: 9.919 HA :: 5.461 HB2 :: 2.925 HB3 :: 2.637 HD1 :: 7.119 HD2 :: 7.119 HE1 :: 6.983 HE2 :: 6.983 HZ :: 7.099 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 :: 117.029 Ave N Shift Values>> N :: 120.45(4.18) 1.E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.22 E 0.13 N 0.12 Q 0.09 K 0.07 Y 0.03 F 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 176.765 CA :: 53.569 CG :: 35.461 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 :: 9.156 HA :: 4.415 HG2 :: 2.370 HG3 :: 2.381 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 :: 125.176 Ave N Shift Values>> N :: 120.67(3.48) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.458 CA :: 58.885 CB :: 63.474 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.866 HA :: 4.233 HB2 :: 3.697 HB3 :: 3.514 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 :: 120.506 Ave N Shift Values>> N :: 116.28(3.52) 1.S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.303 CA :: 59.521 CB :: 63.596 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.442 HA :: 4.111 HB2 :: 3.260 HB3 :: 3.153 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.982 Ave N Shift Values>> N :: 116.28(3.52) 1.S155 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.664 CA :: 60.333 CB :: 63.598 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.651 HA :: 3.691 HB2 :: 2.796(S) HB3 :: 2.656(S) 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 :: 115.894 Ave N Shift Values>> N :: 116.28(3.52) 1.Y156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 HN Overlap>> 1.L180 1.L180 C Shift Assignments>> C :: 172.864 CA :: 55.174 CB :: 37.350 CD1 :: 133.720 CD2 :: 133.720 CE1 :: 117.993 CE2 :: 117.993 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 :: 7.505 HA :: 4.578 HB2 :: 2.332 HB3 :: 2.366 HD1 :: 6.776 HD2 :: 6.776 HE1 :: 6.713 HE2 :: 6.713 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 :: 121.429 Ave N Shift Values>> N :: 120.52(4.2) 1.E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 K 0.09 I 0.09 Q 0.06 M 0.02 C Shift Assignments>> C :: 178.678 CA :: 58.336 CB :: 29.525 CG :: 36.073 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 :: 8.115 HA :: 4.131 HB2 :: 1.931 HB3 :: 1.931 HG2 :: 2.293 HG3 :: 2.215 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 :: 122.455 Ave N Shift Values>> N :: 120.67(3.48) 1.G158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.194 CA :: 45.328 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.297 HA2 :: 4.268 HA3 :: 3.705 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.933 Ave N Shift Values>> N :: 109.67(3.87) 1.Y159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 174.358 CA :: 57.839 CB :: 38.129 CD1 :: 133.045 CD2 :: 133.036 CE1 :: 118.133 CE2 :: 118.133 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 :: 8.274 HA :: 4.869 HB2 :: 3.618 HB3 :: 2.358 HD1 :: 6.787 HD2 :: 6.787 HE1 :: 6.812 HE2 :: 6.812 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.695 Ave N Shift Values>> N :: 120.52(4.2) 1.F160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 G 0.34 Y 0.17 C 0.09 C Shift Assignments>> C :: 177.059 CA :: 55.721 CB :: 44.200 CD1 :: 131.729 CD2 :: 131.746 CE1 :: 130.599 CE2 :: 130.599 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 :: 9.240 HA :: 5.707 HB2 :: 3.333 HB3 :: 2.740 HD1 :: 7.119 HD2 :: 7.119 HE1 :: 7.134 HE2 :: 7.134 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 :: 120.834 Ave N Shift Values>> N :: 120.45(4.18) 1.L161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.32 R 0.01 C Shift Assignments>> C :: 176.014 CA :: 55.979 CB :: 41.659 CG :: 26.892 CD1 :: 24.962 CD2 :: 23.616 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 :: 8.303 HA :: 4.892 HB2 :: 1.437 HB3 :: 1.437 HG :: 1.553 HD11 :: 0.224 HD12 :: 0.224 HD13 :: 0.224 HD21 :: 0.613 HD22 :: 0.613 HD23 :: 0.613 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 :: 118.034 Ave N Shift Values>> N :: 121.86(3.9) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.23 C 0.16 K 0.05 C Shift Assignments>> C :: 174.851 CA :: 51.104 CB :: 23.211 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.151 HA :: 5.065 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.532 Ave N Shift Values>> N :: 123.23(3.54) 1.C163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 M 0.18 C 0.17 R 0.12 H 0.11 Q 0.1 E 0.06 V 0.02 C Shift Assignments>> C :: 173.742 CA :: 56.747 CB :: 32.477 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.291 HA :: 5.922 HB2 :: 3.023 HB3 :: 2.622 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.786 Ave N Shift Values>> N :: 120.17(4.64) 1.E164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.27 E 0.07 Q 0.01 C Shift Assignments>> C :: 174.730 CA :: 54.058 CB :: 33.943 CG :: 35.802 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 :: 8.965 HA :: 5.032 HB2 :: 2.013 HB3 :: 1.889 HG2 :: 2.119 HG3 :: 2.067 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 :: 120.628 Ave N Shift Values>> N :: 120.67(3.48) 1.K165 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.43 R 0.08 C Shift Assignments>> C :: 175.929 CA :: 56.852 CB :: 33.433 CG :: 24.877 CD :: 29.314 CE :: 41.942 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 :: 8.797 HA :: 3.940 HB2 :: 1.534 HB3 :: 1.087 HG2 :: 0.837 HG3 :: 0.428(S) HD2 :: 1.207 HD3 :: 1.220 HE2 :: 2.758 HE3 :: 2.652 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.309 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.2 Q 0.02 K 0.01 HN Overlap>> 1.I85 1.I85 C Shift Assignments>> C :: 174.397 CA :: 56.056 CB :: 31.410 CG :: 36.536 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 :: 8.832 HA :: 4.303 HB2 :: 1.894 HB3 :: 1.780 HG2 :: 2.156 HG3 :: 1.976 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 :: 129.191 Ave N Shift Values>> N :: 120.67(3.48) 1.R167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.28 L 0.12 G 0.07 K 0.03 C Shift Assignments>> C :: 174.683 CA :: 58.632 CB :: 27.538 CG :: 27.783 CD :: 43.178 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 :: 8.896 HA :: 3.613 HB2 :: 2.009 HB3 :: 1.732 HG2 :: 1.545 HG3 :: 1.482 HD2 :: 3.142 HD3 :: 3.082 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.914 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.D168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.21 L 0.15 F 0.11 Y 0.09 C 0.07 K 0.02 C Shift Assignments>> C :: 174.703 CA :: 54.258 CB :: 40.230 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 :: 8.750 HA :: 4.471 HB2 :: 2.729 HB3 :: 2.633 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 :: 119.015 Ave N Shift Values>> N :: 120.65(3.86) 1.L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.32 C 0.17 A 0.02 C Shift Assignments>> C :: 175.183 CA :: 53.522 CB :: 46.061 CG :: 26.722 CD1 :: 24.808 CD2 :: 23.794 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 :: 7.748 HA :: 4.863 HB2 :: 1.709 HB3 :: 1.507 HG :: 1.498 HD11 :: 0.233 HD12 :: 0.233 HD13 :: 0.233 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.057 Ave N Shift Values>> N :: 121.86(3.9) 1.F170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.31 C 0.14 G 0.01 C Shift Assignments>> C :: 174.695 CA :: 56.866 CB :: 42.457 CD1 :: 131.564 CD2 :: 131.564 CE1 :: 131.577 CE2 :: 131.577 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 :: 8.520 HA :: 5.244 HB2 :: 2.822 HB3 :: 2.601 HD1 :: 7.099 HD2 :: 7.099 HE1 :: 6.585 HE2 :: 6.585 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 :: 117.199 Ave N Shift Values>> N :: 120.45(4.18) 1.K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.32 A 0.03 R 0.03 G 0.01 C Shift Assignments>> C :: 175.367 CA :: 54.530 CB :: 36.245 CG :: 23.740 CD :: 29.683 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 :: 9.308 HA :: 4.900 HB2 :: 1.676 HB3 :: 1.563 HG2 :: 0.954 HG3 :: 1.250 HD2 :: 1.549 HD3 :: 1.534 HE2 :: 2.793 HE3 :: 2.789 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 :: 122.105 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.27 R 0.11 G 0.08 C Shift Assignments>> C :: 176.119 CA :: 55.680 CB :: 43.426 CG :: 26.995 CD1 :: 24.378 CD2 :: 25.730 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 :: 8.345 HA :: 5.004 HB2 :: 1.698 HB3 :: 1.475 HG :: 1.552 HD11 :: 0.585 HD12 :: 0.585 HD13 :: 0.585 HD21 :: 0.530 HD22 :: 0.530 HD23 :: 0.530 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 :: 124.196 Ave N Shift Values>> N :: 121.86(3.9) 1.I173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.29 G 0.1 C Shift Assignments>> C :: 172.195 CA :: 60.736 CB :: 43.072 CG1 :: 27.000 CG2 :: 17.960 CD1 :: 15.381 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 :: 9.136 HA :: 4.496 HB :: 1.877 HG12 :: 1.579 HG13 :: 1.282 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 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 :: 121.506 Ave N Shift Values>> N :: 121.46(4.28) 1.L174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.36 C 0.18 R 0.04 A 0.01 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 176.445 CA :: 53.605 CB :: 44.496 CG :: 27.734 CD1 :: 23.929 CD2 :: 25.584 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 :: 8.209 HA :: 5.211 HB2 :: 1.768 HB3 :: 1.082 HG :: 1.604 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.605 HD22 :: 0.605 HD23 :: 0.605 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.237 Ave N Shift Values>> N :: 121.86(3.9) 1.K175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 R 0.17 K 0.09 G 0.04 A 0.01 C Shift Assignments>> C :: 174.733 CA :: 53.803 CB :: 38.109 CG :: 24.670 CD :: 28.818 CE :: 42.319 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.361 HA :: 4.801 HB2 :: 1.747 HB3 :: 1.395 HG2 :: 1.399 HG3 :: 1.279 HD2 :: 1.717 HD3 :: 1.717 HE2 :: 2.974 HE3 :: 2.898 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 :: 127.195 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.42 R 0.1 C Shift Assignments>> C :: 178.573 CA :: 56.679 CB :: 32.837 CG :: 25.098 CD :: 29.336 CE :: 41.868 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 :: 8.746 HA :: 4.116 HB2 :: 1.387 HB3 :: 1.000 HG2 :: 0.943 HG3 :: 0.637 HD2 :: 1.438 HD3 :: 1.438 HE2 :: 2.928 HE3 :: 2.890 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.663 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.12 K 0.07 Q 0.06 M 0.02 C Shift Assignments>> C :: 177.364 CA :: 59.829 CB :: 29.810 CG :: 35.745 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 :: 8.466 HA :: 3.676 HB2 :: 2.015 HB3 :: 2.015 HG2 :: 2.050 HG3 :: 1.923 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 :: 123.801 Ave N Shift Values>> N :: 120.67(3.48) 1.D178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.25 F 0.12 Y 0.11 L 0.09 C 0.09 HN Overlap>> 1.T70 1.T70 C Shift Assignments>> C :: 176.537 CA :: 54.265 CB :: 39.475 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 :: 8.160 HA :: 4.413 HB2 :: 2.795 HB3 :: 2.571 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 :: 114.280 Ave N Shift Values>> N :: 120.65(3.86) 1.E179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.16 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 176.578 CA :: 55.351 CB :: 30.785 CG :: 36.495 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 :: 7.712 HA :: 4.376 HB2 :: 2.187 HB3 :: 1.881 HG2 :: 2.143 HG3 :: 2.175 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 :: 117.952 Ave N Shift Values>> N :: 120.67(3.48) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.05 A 0.01 HN Overlap>> 1.Y156 1.Y156 C Shift Assignments>> C :: 177.613 CA :: 55.930 CB :: 41.924 CG :: 26.664 CD1 :: 25.980 CD2 :: 23.520 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 :: 7.397 HA :: 4.106 HB2 :: 1.756 HB3 :: 1.390 HG :: 1.703 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.613 HD22 :: 0.613 HD23 :: 0.613 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 :: 121.449 Ave N Shift Values>> N :: 121.86(3.9) 1.G181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.808 CA :: 45.620 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.167 HA2 :: 4.164 HA3 :: 3.831 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.718 Ave N Shift Values>> N :: 109.67(3.87) 1.D182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.18 F 0.14 N 0.12 Y 0.11 C 0.07 K 0.05 C Shift Assignments>> C :: 176.093 CA :: 54.999 CB :: 40.554 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 :: 8.333 HA :: 4.571 HB2 :: 2.787 HB3 :: 2.657 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 :: 120.022 Ave N Shift Values>> N :: 120.65(3.86) 1.R183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.38 K 0.07 G 0.06 C Shift Assignments>> C :: 175.463 CA :: 56.284 CB :: 30.583 CG :: 27.430 CD :: 43.299 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 :: 8.316 HA :: 4.322 HB2 :: 2.069 HB3 :: 1.831 HG2 :: 1.654 HG3 :: 1.571 HD2 :: 3.158 HD3 :: 3.158 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 :: 117.850 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.S184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.R94 1.R94 C Shift Assignments>> C :: 172.714 CA :: 57.241 CB :: 65.594 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.700 HA :: 5.419 HB2 :: 3.761 HB3 :: 3.695 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 :: 113.224 Ave N Shift Values>> N :: 116.28(3.52) 1.I185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 C Shift Assignments>> C :: 174.342 CA :: 59.416 CB :: 41.809 CG1 :: 26.728 CG2 :: 17.344 CD1 :: 14.964 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 :: 8.810 HA :: 4.581 HB :: 1.655 HG12 :: 1.327 HG13 :: 1.076 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 HD11 :: 0.593 HD12 :: 0.593 HD13 :: 0.593 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 :: 118.157 Ave N Shift Values>> N :: 121.46(4.28) 1.M186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.47 A 0.02 C Shift Assignments>> C :: 175.313 CA :: 56.658 CB :: 33.330 CG :: 31.235 CE :: 16.022 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 :: 8.509 HA :: 4.358 HB2 :: 1.993 HB3 :: 1.896 HG2 :: 2.393 HG3 :: 2.429 HE1 :: 1.591 HE2 :: 1.591 HE3 :: 1.591 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 :: 124.451 Ave N Shift Values>> N :: 120.09(3.57) 1.F187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 173.176 CA :: 57.447 CB :: 40.319 CD1 :: 130.723 CD2 :: 130.723 CE1 :: 130.689 CE2 :: 130.689 CZ :: 129.586 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 :: 8.070 HA :: 4.568 HB2 :: 2.925 HB3 :: 2.659 HD1 :: 6.848 HD2 :: 6.848 HE1 :: 6.425 HE2 :: 6.425 HZ :: 6.180 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 :: 127.515 Ave N Shift Values>> N :: 120.45(4.18) 1.T188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 T 0.09 C Shift Assignments>> C :: 171.732 CA :: 59.221 CB :: 72.933 CG2 :: 23.644 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 :: 6.660 HA :: 5.251 HB :: 3.766 HG21 :: 0.751 HG22 :: 0.751 HG23 :: 0.751 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 :: 118.576 Ave N Shift Values>> N :: 115.42(4.75) 1.V189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.3 C Shift Assignments>> C :: 174.824 CA :: 59.272 CB :: 35.647 CG1 :: 21.992 CG2 :: 21.937 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 :: 7.860 HA :: 4.296 HB :: 1.938 HG11 :: 0.977 HG12 :: 0.977 HG13 :: 0.977 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 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 :: 111.959 Ave N Shift Values>> N :: 121.14(4.54) 1.Q190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.55 C 0.38 E 0.06 C Shift Assignments>> C :: 175.191 CA :: 55.145 CB :: 30.486 CG :: 33.704 CD :: 179.570 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 :: 8.704 HA :: 4.776 HB2 :: 1.926 HB3 :: 1.809 HG2 :: 2.342 HG3 :: 2.217 HE21 :: 7.554 HE22 :: 6.700 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 :: 124.889 NE2 :: 111.609 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 C 0.13 D 0.1 C Shift Assignments>> C :: 174.844 CA :: 52.969 CB :: 39.246 CG :: 175.505 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 :: 8.562 HA :: 4.459 HB2 :: 2.490 HB3 :: 2.373 HD21 :: 7.092 HD22 :: 6.486 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.010 ND2 :: 110.422 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.32 M 0.18 Q 0.06 K 0.03 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> C :: 174.999 CA :: 55.909 CB :: 30.846 CG :: 36.104 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 :: 7.984 HA :: 4.275 HB2 :: 1.994 HB3 :: 1.673 HG2 :: 2.140 HG3 :: 2.140 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 :: 121.742 Ave N Shift Values>> N :: 120.67(3.48) 1.D193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 D 0.16 F 0.1 R 0.09 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 180.820 CA :: 55.867 CB :: 41.990 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 :: 7.947 HA :: 4.258 HB2 :: 2.561 HB3 :: 2.437 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 :: 126.829 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 188 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 192 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 193 #Suspicious: 0 C Shift Results: #Consistent: 901 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1367 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 203 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F25 HB2 = 1.574(S), Expected = 3.00, Std = 0.3700, ChiSquare = 1.1618e-04 1.F25 HB3 = 1.431(S), Expected = 2.93, Std = 0.4000, ChiSquare = 1.7861e-04 1.S46 HB2 = 2.929(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.4238e-04 1.S46 HB3 = 2.583(S), Expected = 3.85, Std = 0.2700, ChiSquare = 2.6976e-06 1.K115 HG2 = -0.155(S), Expected = 1.37, Std = 0.2600, ChiSquare = 4.4809e-09 1.K115 HG3 = -0.463(S), Expected = 1.35, Std = 0.2800, ChiSquare = 9.4812e-11 1.K115 HD2 = 0.873(S), Expected = 1.61, Std = 0.2200, ChiSquare = 8.0812e-04 1.K115 HD3 = 0.873(S), Expected = 1.60, Std = 0.2200, ChiSquare = 9.5131e-04 1.K115 HE2 = 2.180(S), Expected = 2.92, Std = 0.1900, ChiSquare = 9.8305e-05 1.K115 HE3 = 2.088(S), Expected = 2.91, Std = 0.2000, ChiSquare = 3.9566e-05 1.S155 HB2 = 2.796(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.4510e-05 1.S155 HB3 = 2.656(S), Expected = 3.85, Std = 0.2700, ChiSquare = 9.7691e-06 1.K165 HG3 = 0.428(S), Expected = 1.35, Std = 0.2800, ChiSquare = 9.9175e-04