Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.074 CA :: 58.194 CB :: 64.106 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.499 HB2 :: 3.835 HB3 :: 3.835 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.17 C 0.09 Y 0.08 F 0.07 L 0.05 HN Overlap>> 1.L95 1.L95 C Shift Assignments>> C :: 175.203 CA :: 53.384 CB :: 38.816 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 :: 8.639 HA :: 4.742 HB2 :: 2.766 HB3 :: 2.850 HD21 :: 6.893 HD22 :: 7.551 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.737 ND2 :: 112.907 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.31 R 0.05 A 0.01 C Shift Assignments>> C :: 177.592 CA :: 55.863 CB :: 42.107 CG :: 26.965 CD1 :: 25.297 CD2 :: 23.528 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 :: 8.286 HA :: 4.206 HB2 :: 1.556 HB3 :: 1.556 HG :: 1.495 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 HD21 :: 0.651 HD22 :: 0.651 HD23 :: 0.651 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 :: 122.524 Ave N Shift Values>> N :: 121.86(3.9) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.524 CA :: 45.359 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.305 HA2 :: 3.971 HA3 :: 3.971 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.332 Ave N Shift Values>> N :: 109.67(3.87) 1.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.36 A 0.13 C Shift Assignments>> C :: 175.416 CA :: 55.599 CB :: 33.442 CG :: 32.081 CE :: 17.126 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 :: 8.220 HA :: 4.632 HB2 :: 2.027 HB3 :: 2.151 HG2 :: 2.412 HG3 :: 2.520 HE1 :: 2.039 HE2 :: 2.039 HE3 :: 2.039 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 :: 119.038 Ave N Shift Values>> N :: 120.09(3.57) 1.W7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 HN Overlap>> 1.L67 1.L67 C Shift Assignments>> C :: 175.838 CA :: 56.306 CB :: 31.154 CD1 :: 126.049 CE3 :: 120.343 CZ2 :: 114.498 CZ3 :: 121.943 CH2 :: 123.903 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.427 HA :: 5.256 HB2 :: 3.170 HB3 :: 2.961 HD1 :: 7.201 HE1 :: 9.693 HE3 :: 7.332 HZ2 :: 7.250 HZ3 :: 7.167 HH2 :: 7.166 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.886 NE1 :: 127.968 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.13 HN Overlap>> 1.W44 1.W44 C Shift Assignments>> C :: 174.447 CA :: 55.330 CB :: 35.673 CG :: 25.039 CD :: 29.102 CE :: 42.052 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.773 HA :: 4.558 HB2 :: 1.757 HB3 :: 1.674 HG2 :: 1.347 HG3 :: 1.404 HD2 :: 1.638 HD3 :: 1.561 HE2 :: 2.917 HE3 :: 2.917 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 :: 120.405 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.18 A 0.14 K 0.08 P 0.02 C Shift Assignments>> C :: 175.629 CA :: 51.024 CB :: 23.615 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.172 HA :: 5.612 HB1 :: 1.226 HB2 :: 1.226 HB3 :: 1.226 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.877 Ave N Shift Values>> N :: 123.23(3.54) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.832 CA :: 57.347 CB :: 65.592 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.618 HA :: 4.660 HB2 :: 3.762 HB3 :: 3.700 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 :: 113.192 Ave N Shift Values>> N :: 116.28(3.52) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.48 C Shift Assignments>> C :: 177.206 CA :: 60.993 CB :: 39.045 CG1 :: 25.807 CG2 :: 19.547 CD1 :: 15.652 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 :: 9.546 HA :: 4.917 HB :: 1.782 HG12 :: 1.066 HG13 :: 1.066 HG21 :: 1.116 HG22 :: 1.116 HG23 :: 1.116 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 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 :: 124.034 Ave N Shift Values>> N :: 121.46(4.28) 1.T12 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 :: 175.254 CA :: 62.880 CB :: 69.293 CG2 :: 22.640 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 :: 9.155 HA :: 4.429 HB :: 4.288 HG21 :: 1.268 HG22 :: 1.268 HG23 :: 1.268 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.141 Ave N Shift Values>> N :: 115.42(4.75) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.084 CA :: 57.727 CB :: 64.522 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.995 HA :: 4.697 HB2 :: 4.061 HB3 :: 4.025 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.014 Ave N Shift Values>> N :: 116.28(3.52) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 171.487 CA :: 45.630 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.432 HA2 :: 3.549 HA3 :: 4.803 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.501 Ave N Shift Values>> N :: 109.67(3.87) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.31 E 0.06 Q 0.02 C Shift Assignments>> C :: 173.538 CA :: 54.476 CB :: 33.926 CG :: 35.251 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 :: 9.027 HA :: 4.738 HB2 :: 1.917 HB3 :: 2.079 HG2 :: 2.161 HG3 :: 2.082 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 :: 119.970 Ave N Shift Values>> N :: 120.67(3.48) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.101 CA :: 62.592 CB :: 32.466 CG1 :: 22.174 CG2 :: 22.105 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 :: 8.745 HA :: 4.302 HB :: 1.942 HG11 :: 0.826 HG12 :: 0.826 HG13 :: 0.826 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.503 Ave N Shift Values>> N :: 121.14(4.54) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 172.416 CA :: 59.992 CB :: 70.871 CG2 :: 21.184 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 :: 8.621 HA :: 4.711 HB :: 4.167 HG21 :: 1.134 HG22 :: 1.134 HG23 :: 1.134 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.226 Ave N Shift Values>> N :: 115.42(4.75) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.29 M 0.27 Q 0.01 C Shift Assignments>> C :: 175.905 CA :: 55.093 CB :: 31.965 CG :: 36.597 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 :: 8.443 HA :: 5.179 HB2 :: 1.813 HB3 :: 1.893 HG2 :: 1.925 HG3 :: 2.051 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 :: 122.255 Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.28 E 0.25 Q 0.01 C Shift Assignments>> C :: 176.322 CA :: 55.792 CB :: 32.500 CG :: 36.338 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 :: 8.638 HA :: 4.507 HB2 :: 1.844 HB3 :: 1.930 HG2 :: 2.153 HG3 :: 2.268 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 :: 124.508 Ave N Shift Values>> N :: 120.67(3.48) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.16 Y 0.11 F 0.09 D 0.07 E 0.06 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 175.209 CA :: 54.188 CB :: 37.788 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 :: 9.581 HA :: 4.396 HB2 :: 2.794 HB3 :: 3.083 HD21 :: 7.722 HD22 :: 6.924 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 :: 125.283 ND2 :: 113.752 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G21 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 :: 173.633 CA :: 45.584 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.793 HA2 :: 3.626 HA3 :: 4.137 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.182 Ave N Shift Values>> N :: 109.67(3.87) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.33 E 0.24 Q 0.02 C Shift Assignments>> C :: 175.047 CA :: 54.558 CB :: 32.214 CG :: 36.201 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 :: 7.772 HA :: 4.615 HB2 :: 2.030 HB3 :: 1.914 HG2 :: 2.247 HG3 :: 2.143 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 :: 120.520 Ave N Shift Values>> N :: 120.67(3.48) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.21 M 0.11 E 0.11 R 0.01 C Shift Assignments>> C :: 175.321 CA :: 55.467 CB :: 29.871 CG :: 34.174 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 :: 8.469 HA :: 4.806 HB2 :: 1.940 HB3 :: 1.730 HG2 :: 2.142 HG3 :: 2.411 HE21 :: 7.571 HE22 :: 6.720 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 :: 121.835 NE2 :: 111.537 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.4 C 0.09 C Shift Assignments>> CA :: 51.876 CB :: 44.186 CG :: 26.448 CD1 :: 24.746 CD2 :: 25.344 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 :: 8.911 HA :: 4.977 HB2 :: 1.644 HB3 :: 1.459 HG :: 1.572 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 122.703 Ave N Shift Values>> N :: 121.86(3.9) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 175.081 CA :: 62.236 CB :: 32.588 CG :: 28.547 CD :: 50.447 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 :: 4.678 HB2 :: 2.197 HB3 :: 2.004 HG2 :: 2.473 HG3 :: 2.028 HD2 :: 3.961 HD3 :: 3.813 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.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.14 C 0.14 E 0.13 Q 0.12 H 0.11 R 0.09 I 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 170.990 CA :: 58.175 CB :: 28.988 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.814 HA :: 4.464 HB2 :: 2.423 HB3 :: 2.682 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.109 Ave N Shift Values>> N :: 120.17(4.64) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 174.096 CA :: 56.855 CB :: 39.900 CD1 :: 132.735 CE1 :: 117.185 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 :: 8.789 HA :: 4.808 HB2 :: 3.033 HB3 :: 3.033 HD1 :: 7.035 HD2 :: 7.035 HE1 :: 6.451 HE2 :: 6.451 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 :: 125.750 Ave N Shift Values>> N :: 120.52(4.2) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.34 C 0.27 C Shift Assignments>> C :: 173.783 CA :: 58.110 CB :: 38.184 CD1 :: 131.182 CE1 :: 129.845 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 :: 8.769 HA :: 4.642 HB2 :: 2.670 HB3 :: 3.040 HD1 :: 6.984 HD2 :: 6.984 HE1 :: 7.169 HE2 :: 7.169 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 :: 122.762 Ave N Shift Values>> N :: 120.45(4.18) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.391 CA :: 61.868 CB :: 32.033 CG1 :: 22.198 CG2 :: 21.196 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 :: 8.920 HA :: 4.268 HB :: 2.392 HG11 :: 0.713 HG12 :: 0.713 HG13 :: 0.713 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.150 Ave N Shift Values>> N :: 121.14(4.54) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.36 A 0.12 C Shift Assignments>> C :: 174.990 CA :: 55.573 CB :: 33.518 CG :: 32.067 CE :: 16.934 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 :: 9.342 HA :: 4.912 HB2 :: 1.944 HB3 :: 2.133 HG2 :: 2.416 HG3 :: 2.320 HE1 :: 1.943 HE2 :: 1.943 HE3 :: 1.943 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 :: 129.679 Ave N Shift Values>> N :: 120.09(3.57) 1.V31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.337 CA :: 61.128 CB :: 33.587 CG1 :: 23.189 CG2 :: 22.148 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 :: 9.264 HA :: 4.563 HB :: 0.252(S) HG11 :: 0.618 HG12 :: 0.618 HG13 :: 0.618 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 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 :: 130.926 Ave N Shift Values>> N :: 121.14(4.54) 1.S32 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 :: 172.461 CA :: 56.183 CB :: 65.926 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.638 HA :: 4.973 HB2 :: 3.529 HB3 :: 3.469 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 :: 118.953 Ave N Shift Values>> N :: 116.28(3.52) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 G 0.35 C 0.16 A 0.09 R 0.02 C Shift Assignments>> C :: 175.542 CA :: 53.735 CB :: 44.638 CG :: 27.417 CD1 :: 25.305 CD2 :: 22.506 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 :: 8.545 HA :: 4.685 HB2 :: 1.023 HB3 :: 1.531 HG :: 1.096 HD11 :: 0.556 HD12 :: 0.556 HD13 :: 0.556 HD21 :: 0.073 HD22 :: 0.073 HD23 :: 0.073 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.561 Ave N Shift Values>> N :: 121.86(3.9) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 Q 0.28 C 0.24 K 0.08 E 0.04 C Shift Assignments>> C :: 175.127 CA :: 54.476 CB :: 30.951 CG :: 33.620 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 :: 8.584 HA :: 4.726 HB2 :: 2.013 HB3 :: 1.883 HG2 :: 2.212 HG3 :: 2.212 HE21 :: 7.431 HE22 :: 6.687 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.093 NE2 :: 111.360 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.38 M 0.16 Q 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 177.068 CA :: 56.226 CB :: 31.067 CG :: 36.657 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 :: 8.595 HA :: 4.358 HB2 :: 2.039 HB3 :: 1.879 HG2 :: 2.195 HG3 :: 2.253 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 :: 124.655 Ave N Shift Values>> N :: 120.67(3.48) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 177.344 CA :: 64.068 CB :: 31.953 CG1 :: 21.046 CG2 :: 21.356 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 :: 8.500 HA :: 3.884 HB :: 2.009 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.996 HG22 :: 0.996 HG23 :: 0.996 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.504 Ave N Shift Values>> N :: 121.14(4.54) 1.G37 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 :: 174.995 CA :: 45.581 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.803 HA2 :: 4.113 HA3 :: 3.789 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.315 Ave N Shift Values>> N :: 109.67(3.87) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.060 CA :: 45.227 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.203 HA2 :: 3.955 HA3 :: 4.073 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.553 Ave N Shift Values>> N :: 109.67(3.87) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.986 CA :: 62.077 CB :: 32.980 CG1 :: 21.192 CG2 :: 20.097 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.911 HA :: 4.199 HB :: 2.139 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 116.916 Ave N Shift Values>> N :: 121.14(4.54) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 M 0.17 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 176.343 CA :: 56.349 CB :: 31.022 CG :: 36.471 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 :: 8.291 HA :: 4.474 HB2 :: 1.950 HB3 :: 2.013 HG2 :: 2.276 HG3 :: 2.154 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 :: 123.092 Ave N Shift Values>> N :: 120.67(3.48) 1.T41 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 :: 174.222 CA :: 62.168 CB :: 70.216 CG2 :: 22.118 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 :: 8.639 HA :: 4.545 HB :: 4.009 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 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 :: 118.247 Ave N Shift Values>> N :: 115.42(4.75) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.19 C Shift Assignments>> C :: 174.318 CA :: 55.675 CB :: 35.520 CG :: 25.285 CD :: 29.455 CE :: 42.102 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 :: 8.384 HA :: 4.662 HB2 :: 2.021 HB3 :: 1.881 HG2 :: 1.595 HG3 :: 1.546 HD2 :: 1.744 HD3 :: 1.712 HE2 :: 2.967 HE3 :: 2.967 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.586 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.26 R 0.15 K 0.07 C 0.04 G 0.04 N 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.351 CA :: 52.549 CB :: 42.740 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 :: 8.489 HA :: 5.635 HB2 :: 2.595 HB3 :: 2.595 HD21 :: 7.431 HD22 :: 6.679 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 :: 118.912 ND2 :: 114.366 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 172.868 CA :: 57.873 CB :: 30.247 CD1 :: 125.337 CE3 :: 120.307 CZ2 :: 115.098 CZ3 :: 121.240 CH2 :: 123.640 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.790 HA :: 4.936 HB2 :: 3.173 HB3 :: 3.652 HD1 :: 6.720 HE1 :: 10.655 HE3 :: 7.146 HZ2 :: 7.280 HZ3 :: 6.660 HH2 :: 6.629 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.401 NE1 :: 129.387 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 174.750 CA :: 61.263 CB :: 71.336 CG2 :: 22.024 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 :: 8.592 HA :: 5.698 HB :: 3.919 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.078 Ave N Shift Values>> N :: 115.42(4.75) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 A 0.14 V 0.08 C Shift Assignments>> CA :: 56.951 CB :: 35.450 CG1 :: 19.519 CG2 :: 21.100 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 :: 9.515 HA :: 5.079 HB :: 1.904 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 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 :: 124.434 Ave N Shift Values>> N :: 121.14(4.54) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 P 0.44 C Shift Assignments>> C :: 177.699 CA :: 60.937 CB :: 31.684 CG :: 27.212 CD :: 50.949 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 :: 4.920 HB2 :: 1.705 HB3 :: 1.616 HG2 :: 2.290 HG3 :: 2.024 HD2 :: 3.866 HD3 :: 3.770 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.R48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 G 0.22 K 0.12 R 0.11 C Shift Assignments>> C :: 175.891 CA :: 52.640 CB :: 35.141 CG :: 26.346 CD :: 43.096 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.447 HA :: 4.940 HB2 :: 1.655 HB3 :: 1.149 HG2 :: 0.960 HG3 :: 0.302(S) HD2 :: 3.376 HD3 :: 1.938(S) 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 :: 124.640 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.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.38 K 0.14 G 0.09 C Shift Assignments>> C :: 179.241 CA :: 55.831 CB :: 31.708 CG :: 28.535 CD :: 43.593 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.933 HA :: 5.098 HB2 :: 1.886 HB3 :: 2.459 HG2 :: 1.919 HG3 :: 1.759 HD2 :: 3.185 HD3 :: 3.185 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 :: 124.606 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.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 L 0.23 R 0.1 G 0.01 C Shift Assignments>> C :: 178.989 CA :: 59.701 CB :: 42.021 CG :: 27.450 CD1 :: 22.603 CD2 :: 25.809 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 :: 8.697 HA :: 4.486 HB2 :: 2.248 HB3 :: 1.956 HG :: 1.785 HD11 :: 1.051 HD12 :: 1.051 HD13 :: 1.051 HD21 :: 1.065 HD22 :: 1.065 HD23 :: 1.065 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.271 Ave N Shift Values>> N :: 121.86(3.9) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.004 CA :: 60.946 CB :: 61.450 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.106 HA :: 4.480 HB2 :: 4.042 HB3 :: 4.042 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 :: 112.954 Ave N Shift Values>> N :: 116.28(3.52) 1.E52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 I 0.31 E 0.02 C Shift Assignments>> C :: 180.391 CA :: 59.776 CB :: 30.275 CG :: 39.384 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 :: 7.553 HA :: 4.513 HB2 :: 2.748(S) HB3 :: 2.344 HG2 :: 2.617 HG3 :: 2.474 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 :: 122.642 Ave N Shift Values>> N :: 120.67(3.48) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.29 C 0.27 HN Overlap>> 1.Q94 1.Q94 C Shift Assignments>> C :: 177.928 CA :: 62.921 CB :: 39.553 CD1 :: 132.721 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 :: 8.157 HA :: 4.035 HB2 :: 3.504 HB3 :: 2.722 HD1 :: 7.429 HD2 :: 7.429 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 :: 119.872 Ave N Shift Values>> N :: 120.45(4.18) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.21 K 0.16 R 0.13 I 0.02 E 0.02 C Shift Assignments>> C :: 178.820 CA :: 59.118 CB :: 27.490 CG :: 33.604 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 :: 8.335 HA :: 4.010 HB2 :: 2.090 HB3 :: 2.416 HG2 :: 2.424 HG3 :: 2.421 HE21 :: 7.322 HE22 :: 7.073 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 :: 117.938 NE2 :: 111.240 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 C 0.18 N 0.12 D 0.07 E 0.05 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 177.225 CA :: 56.211 CB :: 38.304 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 :: 8.402 HA :: 4.581 HB2 :: 3.099 HB3 :: 2.990 HD21 :: 7.815 HD22 :: 7.026 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 :: 119.707 ND2 :: 112.873 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.53 C 0.46 C Shift Assignments>> C :: 177.778 CA :: 58.306 CB :: 41.376 CG :: 26.343 CD1 :: 23.063 CD2 :: 24.016 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.921 HA :: 4.130 HB2 :: 1.177 HB3 :: 1.819 HG :: 1.202 HD11 :: 0.546 HD12 :: 0.546 HD13 :: 0.546 HD21 :: -0.326(S) HD22 :: -0.326(S) HD23 :: -0.326(S) 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 :: 121.888 Ave N Shift Values>> N :: 121.86(3.9) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.36 H 0.08 C Shift Assignments>> C :: 177.846 CA :: 60.840 CB :: 32.352 CD2 :: 114.999 CE1 :: 138.730 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 :: 8.350 HA :: 4.003 HB2 :: 3.324 HB3 :: 2.995 HD2 :: 6.543 HE1 :: 7.663 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.064 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.41 G 0.07 K 0.02 HN Overlap>> 1.E89 1.F87 1.E89 1.F87 1.Y124 1.Y124 C Shift Assignments>> C :: 179.191 CA :: 60.027 CB :: 29.950 CG :: 27.412 CD :: 43.297 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.346 HA :: 3.836 HB2 :: 2.064 HB3 :: 2.064 HG2 :: 1.792 HG3 :: 1.612 HD2 :: 3.266 HD3 :: 3.266 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.992 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.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.15 K 0.13 W 0.09 R 0.08 M 0.08 H 0.06 E 0.05 Q 0.05 HN Overlap>> 1.K90 1.K90 C Shift Assignments>> C :: 180.544 CA :: 59.487 CB :: 32.477 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 :: 8.079 HA :: 4.085 HB2 :: 1.882 HB3 :: 1.882 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 :: 118.730 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.25 R 0.12 A 0.02 C Shift Assignments>> C :: 179.458 CA :: 57.191 CB :: 41.409 CG :: 26.435 CD1 :: 27.930 CD2 :: 22.271 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 :: 8.725 HA :: 4.167 HB2 :: 1.702 HB3 :: 1.320 HG :: 1.850 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.858 Ave N Shift Values>> N :: 121.86(3.9) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.605 CA :: 61.238 CB :: 63.099 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.299 HA :: 4.298 HB2 :: 3.815 HB3 :: 3.470 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 :: 116.148 Ave N Shift Values>> N :: 116.28(3.52) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.07 K 0.07 Q 0.04 M 0.04 C Shift Assignments>> C :: 177.497 CA :: 58.263 CB :: 29.883 CG :: 36.233 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 :: 7.135 HA :: 4.104 HB2 :: 2.115 HB3 :: 2.115 HG2 :: 2.271 HG3 :: 2.530 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.136 Ave N Shift Values>> N :: 120.67(3.48) 1.C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 C 0.19 W 0.14 K 0.1 E 0.08 Q 0.08 R 0.07 H 0.06 L 0.01 C Shift Assignments>> C :: 174.860 CA :: 59.741 CB :: 28.373 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.217 HA :: 4.514 HB2 :: 3.060 HB3 :: 3.086 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 :: 114.930 Ave N Shift Values>> N :: 120.17(4.64) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.F117 1.F117 C Shift Assignments>> CA :: 59.804 CB :: 32.859 CG1 :: 21.784 CG2 :: 21.443 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 :: 7.870 HA :: 4.456 HB :: 2.016 HG11 :: 0.927 HG12 :: 0.927 HG13 :: 0.927 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.986 Ave N Shift Values>> N :: 121.14(4.54) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 64.958 CB :: 31.980 CG :: 27.289 CD :: 50.921 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 :: 4.669 HB2 :: 1.990 HB3 :: 2.425 HG2 :: 2.078 HG3 :: 1.991 HD2 :: 3.472 HD3 :: 3.863 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 177.171 CA :: 61.082 CB :: 61.762 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.210 HB2 :: 3.977 HB3 :: 3.928 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.32 R 0.13 G 0.01 HN Overlap>> 1.I83 1.W7 1.I83 1.W7 C Shift Assignments>> C :: 179.318 CA :: 56.616 CB :: 42.502 CG :: 27.428 CD1 :: 25.694 CD2 :: 24.345 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 :: 8.344 HA :: 4.257 HB2 :: 1.495 HB3 :: 1.760 HG :: 1.798 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.818 Ave N Shift Values>> N :: 121.86(3.9) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 R 0.25 K 0.09 C Shift Assignments>> C :: 177.223 CA :: 59.299 CB :: 32.463 CD :: 26.364 CE :: 42.067 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 :: 8.100 HA :: 4.075 HB2 :: 1.993 HB3 :: 1.858 HD2 :: 1.514 HD3 :: 1.651 HE2 :: 2.973 HE3 :: 2.973 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.141 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.11 Q 0.04 C Shift Assignments>> C :: 176.841 CA :: 56.739 CB :: 32.594 CG :: 25.183 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 :: 7.387 HA :: 4.211 HB2 :: 2.013 HB3 :: 1.834 HG2 :: 1.495 HG3 :: 1.495 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 :: 115.069 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 174.609 CA :: 62.882 CB :: 32.151 CG1 :: 21.018 CG2 :: 21.751 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.676 HA :: 3.873 HB :: 2.194 HG11 :: 0.781 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.973 Ave N Shift Values>> N :: 121.14(4.54) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.25 C 0.22 M 0.1 E 0.05 R 0.02 C Shift Assignments>> C :: 175.204 CA :: 54.533 CB :: 29.652 CG :: 33.714 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 :: 8.360 HA :: 4.280 HB2 :: 1.877 HB3 :: 1.834 HG2 :: 2.237 HG3 :: 2.275 HE21 :: 6.610 HE22 :: 7.245 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.764 NE2 :: 109.740 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 A 0.24 C 0.2 C Shift Assignments>> CA :: 52.526 CB :: 40.852 CG :: 27.822 CD1 :: 24.670 CD2 :: 22.264 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 :: 8.330 HA :: 4.255 HB2 :: 1.072 HB3 :: 1.355 HG :: 0.924 HD11 :: 0.007 HD12 :: 0.007 HD13 :: 0.007 HD21 :: -0.028 HD22 :: -0.028 HD23 :: -0.028 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.374 Ave N Shift Values>> N :: 121.86(3.9) 1.P73 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 :: 174.164 CA :: 62.919 CB :: 31.826 CG :: 27.449 CD :: 49.862 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 :: 4.390 HB2 :: 1.664 HB3 :: 2.241 HG2 :: 1.580 HG3 :: 1.792 HD2 :: 3.051 HD3 :: 3.323 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.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 174.213 CA :: 56.483 CB :: 65.489 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.210 HA :: 4.651 HB2 :: 3.786 HB3 :: 3.650 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 :: 112.482 Ave N Shift Values>> N :: 116.28(3.52) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.26 A 0.02 G 0.01 C Shift Assignments>> C :: 177.709 CA :: 54.703 CB :: 42.080 CG :: 26.920 CD1 :: 23.677 CD2 :: 23.677 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 :: 8.830 HA :: 4.218 HB2 :: 1.547 HB3 :: 1.547 HG :: 1.496 HD11 :: 0.471 HD12 :: 0.471 HD13 :: 0.471 HD21 :: 0.471 HD22 :: 0.471 HD23 :: 0.471 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 :: 124.633 Ave N Shift Values>> N :: 121.86(3.9) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q100 1.Q100 C Shift Assignments>> C :: 174.700 CA :: 59.357 CB :: 63.443 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.207 HA :: 4.246 HB2 :: 3.833 HB3 :: 3.833 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 :: 115.934 Ave N Shift Values>> N :: 116.28(3.52) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.11 Q 0.02 C Shift Assignments>> C :: 176.301 CA :: 56.035 CB :: 31.979 CG :: 24.879 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 :: 8.164 HA :: 4.301 HB2 :: 1.952 HB3 :: 1.690 HG2 :: 1.421 HG3 :: 1.347 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 :: 120.940 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.18 A 0.07 C Shift Assignments>> CA :: 52.956 CB :: 41.788 CG :: 26.935 CD1 :: 23.200 CD2 :: 23.200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.704 HA :: 4.544 HB2 :: 1.538 HB3 :: 1.433 HG :: 1.543 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.052 Ave N Shift Values>> N :: 121.86(3.9) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.693 CA :: 63.663 CB :: 31.608 CG :: 27.338 CD :: 50.426 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 :: 4.250 HB2 :: 1.674 HB3 :: 2.102 HG2 :: 1.963 HG3 :: 1.963 HD2 :: 3.618 HD3 :: 3.801 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.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.37 C 0.23 HN Overlap>> 1.L108 1.D123 1.S121 1.L108 1.D123 1.S121 C Shift Assignments>> C :: 175.427 CA :: 57.622 CB :: 38.766 CD1 :: 132.127 CE1 :: 131.961 CZ :: 129.047 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 :: 8.034 HA :: 4.526 HB2 :: 3.234 HB3 :: 3.099 HD1 :: 7.237 HD2 :: 7.237 HE1 :: 7.354 HE2 :: 7.354 HZ :: 7.078 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 :: 117.720 Ave N Shift Values>> N :: 120.45(4.18) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.41 R 0.08 Q 0.02 V 0.01 HN Overlap>> 1.K86 1.K86 C Shift Assignments>> C :: 176.017 CA :: 56.774 CB :: 32.362 CG :: 24.824 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 :: 8.110 HA :: 4.144 HB2 :: 1.865 HB3 :: 1.718 HG2 :: 1.310 HG3 :: 1.310 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.623 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.890 CA :: 57.725 CB :: 64.126 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.846 HA :: 4.496 HB2 :: 3.799 HB3 :: 3.763 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.996 Ave N Shift Values>> N :: 116.28(3.52) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.L67 1.L67 C Shift Assignments>> C :: 174.805 CA :: 62.041 CB :: 37.457 CG1 :: 27.360 CG2 :: 18.911 CD1 :: 13.721 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 :: 8.368 HA :: 3.750 HB :: 1.675 HG12 :: 0.693 HG13 :: 1.440 HG21 :: 0.765 HG22 :: 0.765 HG23 :: 0.765 HD11 :: 0.602 HD12 :: 0.602 HD13 :: 0.602 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.737 Ave N Shift Values>> N :: 121.46(4.28) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.15 G 0.06 K 0.05 C 0.04 N 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 176.327 CA :: 52.298 CB :: 42.854 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 :: 7.813 HA :: 4.825 HB2 :: 2.737 HB3 :: 3.157 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 :: 126.401 Ave N Shift Values>> N :: 120.65(3.86) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.24 Q 0.23 R 0.09 E 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 178.560 CA :: 59.005 CB :: 28.240 CG :: 33.453 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 :: 8.633 HA :: 4.030 HB2 :: 2.156 HB3 :: 2.156 HG2 :: 2.499 HG3 :: 2.533 HE21 :: 7.695 HE22 :: 6.927 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.555 NE2 :: 112.400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.45 HN Overlap>> 1.K81 1.K81 C Shift Assignments>> C :: 179.306 CA :: 59.314 CB :: 31.541 CG :: 25.181 CD :: 28.950 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.080 HA :: 4.164 HB2 :: 2.019 HB3 :: 1.900 HG2 :: 1.578 HG3 :: 1.578 HD2 :: 1.735 HD3 :: 1.735 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.601 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.35 C 0.19 HN Overlap>> 1.E89 1.E89 1.R58 1.Y124 1.R58 1.Y124 C Shift Assignments>> C :: 180.120 CA :: 61.962 CB :: 39.050 CD1 :: 132.347 CE1 :: 131.105 CZ :: 129.071 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 :: 8.344 HA :: 4.193 HB2 :: 3.488 HB3 :: 3.184 HD1 :: 7.172 HD2 :: 7.172 HE1 :: 7.259 HE2 :: 7.259 HZ :: 6.917 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 :: 121.000 Ave N Shift Values>> N :: 120.45(4.18) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.25 A 0.02 C Shift Assignments>> C :: 178.105 CA :: 56.639 CB :: 28.903 CG :: 31.711 CE :: 15.254 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 :: 8.340 HA :: 4.400 HB2 :: 2.257 HB3 :: 2.019 HG2 :: 2.599 HG3 :: 2.599 HE1 :: 1.508 HE2 :: 1.508 HE3 :: 1.508 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 :: 121.135 Ave N Shift Values>> N :: 120.09(3.57) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.09 K 0.08 Q 0.06 M 0.03 HN Overlap>> 1.A116 1.F87 1.R58 1.Y124 1.A116 1.F87 1.R58 1.Y124 C Shift Assignments>> C :: 178.316 CA :: 59.290 CB :: 29.820 CG :: 35.798 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 :: 8.338 HA :: 4.053 HB2 :: 2.137 HB3 :: 2.066 HG2 :: 2.331 HG3 :: 2.331 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 :: 120.900 Ave N Shift Values>> N :: 120.67(3.48) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.47 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> C :: 179.624 CA :: 59.425 CB :: 32.501 CG :: 24.908 CD :: 29.067 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 :: 8.061 HA :: 4.072 HB2 :: 1.841 HB3 :: 1.713 HG2 :: 1.492 HG3 :: 1.492 HD2 :: 1.679 HD3 :: 1.663 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 :: 118.777 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.274 CA :: 61.330 CB :: 61.766 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.520 HA :: 3.798 HB2 :: 2.965(S) HB3 :: 3.210 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.258 Ave N Shift Values>> N :: 116.28(3.52) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.25 V 0.13 R 0.02 P 0.01 C Shift Assignments>> C :: 177.424 CA :: 60.455 CB :: 31.637 CG :: 24.308 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 :: 7.828 HA :: 3.609 HB2 :: 1.965 HB3 :: 2.062 HG2 :: 1.360 HG3 :: 1.493 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.650 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 C 0.19 N 0.1 E 0.06 D 0.06 I 0.05 L 0.03 M 0.02 C Shift Assignments>> C :: 178.396 CA :: 56.394 CB :: 38.217 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 :: 7.428 HA :: 4.501 HB2 :: 2.979 HB3 :: 2.887 HD21 :: 7.139 HD22 :: 7.672 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.872 ND2 :: 113.704 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.23 E 0.11 I 0.03 M 0.02 R 0.01 HN Overlap>> 1.F53 1.F53 C Shift Assignments>> C :: 179.878 CA :: 59.166 CB :: 29.279 CG :: 34.191 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 :: 8.180 HA :: 3.995 HB2 :: 1.852 HB3 :: 1.975 HG2 :: 2.470 HG3 :: 2.276 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.978 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 C 0.47 A 0.02 HN Overlap>> 1.N3 1.N3 C Shift Assignments>> C :: 178.711 CA :: 57.288 CB :: 40.811 CG :: 25.878 CD1 :: 23.229 CD2 :: 22.187 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 :: 8.652 HA :: 3.889 HB2 :: 1.184 HB3 :: 0.387 HG :: 1.123 HD11 :: -0.882(S) HD12 :: -0.882(S) HD13 :: -0.882(S) HD21 :: 0.065 HD22 :: 0.065 HD23 :: 0.065 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 :: 120.650 Ave N Shift Values>> N :: 121.86(3.9) 1.N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 C 0.17 D 0.08 N 0.08 I 0.05 L 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 178.384 CA :: 56.636 CB :: 38.751 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 :: 8.503 HA :: 4.683 HB2 :: 2.962 HB3 :: 2.927 HD21 :: 7.745 HD22 :: 7.054 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.052 ND2 :: 111.552 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.1 C Shift Assignments>> C :: 178.530 CA :: 59.631 CB :: 32.065 CG :: 25.091 CD :: 28.980 CE :: 42.071 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 :: 7.732 HA :: 4.048 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 1.605 HG3 :: 1.502 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 2.992 HE3 :: 2.992 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 :: 120.414 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.3 C 0.24 HN Overlap>> 1.F117 1.F117 C Shift Assignments>> C :: 176.580 CA :: 59.770 CB :: 38.759 CD1 :: 131.994 CE1 :: 130.744 CZ :: 128.693 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 :: 7.726 HA :: 4.503 HB2 :: 3.339 HB3 :: 3.239 HD1 :: 7.244 HD2 :: 7.244 HE1 :: 7.163 HE2 :: 7.163 HZ :: 6.912 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 :: 119.994 Ave N Shift Values>> N :: 120.45(4.18) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.39 R 0.04 G 0.01 C Shift Assignments>> C :: 178.220 CA :: 58.244 CB :: 42.296 CG :: 26.828 CD1 :: 25.319 CD2 :: 23.195 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 :: 8.393 HA :: 3.603 HB2 :: 1.504 HB3 :: 2.005 HG :: 1.982 HD11 :: 0.961 HD12 :: 0.961 HD13 :: 0.961 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 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 :: 118.241 Ave N Shift Values>> N :: 121.86(3.9) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.21 R 0.19 K 0.17 M 0.01 E 0.01 I 0.01 HN Overlap>> 1.S76 1.S76 C Shift Assignments>> C :: 179.309 CA :: 58.399 CB :: 27.384 CG :: 33.168 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 :: 8.221 HA :: 4.016 HB2 :: 2.180 HB3 :: 2.180 HG2 :: 2.670 HG3 :: 2.528 HE21 :: 7.137 HE22 :: 7.447 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.987 NE2 :: 112.957 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.19 C 0.17 N 0.15 D 0.08 E 0.05 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 178.101 CA :: 55.984 CB :: 38.354 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 :: 8.053 HA :: 4.360 HB2 :: 2.855 HB3 :: 3.003 HD21 :: 7.457 HD22 :: 6.742 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 :: 118.561 ND2 :: 110.087 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.46 R 0.01 C Shift Assignments>> C :: 178.214 CA :: 57.713 CB :: 41.789 CG :: 25.342 CD1 :: 23.694 CD2 :: 25.955 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 :: 7.765 HA :: 3.870 HB2 :: 1.777 HB3 :: 1.017 HG :: 1.448 HD11 :: 0.465 HD12 :: 0.465 HD13 :: 0.465 HD21 :: 0.106 HD22 :: 0.106 HD23 :: 0.106 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 :: 119.164 Ave N Shift Values>> N :: 121.86(3.9) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.38 R 0.12 C Shift Assignments>> C :: 177.820 CA :: 56.649 CB :: 41.696 CG :: 27.786 CD1 :: 26.387 CD2 :: 23.657 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 :: 7.620 HA :: 3.940 HB2 :: 1.775 HB3 :: 1.687 HG :: 1.720 HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 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 :: 113.740 Ave N Shift Values>> N :: 121.86(3.9) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.102 CA :: 58.237 CB :: 64.255 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.493 HA :: 4.541 HB2 :: 4.046 HB3 :: 3.963 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.512 Ave N Shift Values>> N :: 116.28(3.52) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.21 R 0.2 K 0.06 G 0.05 C 0.04 F 0.04 Y 0.02 N 0.02 C Shift Assignments>> C :: 176.828 CA :: 53.346 CB :: 43.017 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 :: 7.260 HA :: 4.771 HB2 :: 2.534 HB3 :: 3.063 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.228 Ave N Shift Values>> N :: 120.65(3.86) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.16 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 177.871 CA :: 59.465 CB :: 29.547 CG :: 36.266 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 :: 9.273 HA :: 4.212 HB2 :: 2.118 HB3 :: 2.118 HG2 :: 2.348 HG3 :: 2.348 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 :: 128.323 Ave N Shift Values>> N :: 120.67(3.48) 1.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.43 G 0.07 K 0.04 C Shift Assignments>> C :: 178.553 CA :: 57.970 CB :: 30.440 CG :: 26.710 CD :: 43.446 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 :: 8.644 HA :: 4.195 HB2 :: 1.858 HB3 :: 1.858 HG2 :: 1.793 HG3 :: 1.748 HD2 :: 3.155 HD3 :: 3.343 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 :: 117.487 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.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.3 R 0.2 G 0.03 HN Overlap>> 1.D123 1.F80 1.D123 1.F80 C Shift Assignments>> C :: 178.631 CA :: 55.646 CB :: 42.726 CG :: 26.976 CD1 :: 24.293 CD2 :: 26.891 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 :: 8.054 HA :: 4.349 HB2 :: 2.179 HB3 :: 1.493 HG :: 1.583 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.989 HD22 :: 0.989 HD23 :: 0.989 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.789 Ave N Shift Values>> N :: 121.86(3.9) 1.C109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.19 P 0.16 W 0.06 R 0.06 Q 0.02 E 0.02 K 0.01 H 0.01 L 0.01 C Shift Assignments>> C :: 174.632 CA :: 61.271 CB :: 27.316 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.989 HA :: 4.224 HB2 :: 3.090 HB3 :: 3.090 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 :: 116.397 Ave N Shift Values>> N :: 120.17(4.64) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.26 C 0.22 E 0.08 R 0.03 M 0.03 C Shift Assignments>> C :: 175.907 CA :: 54.556 CB :: 28.905 CG :: 34.216 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 :: 7.857 HA :: 4.672 HB2 :: 1.885 HB3 :: 2.404 HG2 :: 2.498 HG3 :: 2.396 HE21 :: 7.494 HE22 :: 6.877 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 :: 117.734 NE2 :: 112.153 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 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 :: 175.641 CA :: 58.513 CB :: 63.995 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.426 HA :: 4.272 HB2 :: 3.966 HB3 :: 4.065 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 :: 115.367 Ave N Shift Values>> N :: 116.28(3.52) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.19 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.104 CA :: 59.635 CB :: 29.426 CG :: 36.358 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 :: 9.106 HA :: 4.110 HB2 :: 2.101 HB3 :: 2.101 HG2 :: 2.436 HG3 :: 2.358 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 :: 128.498 Ave N Shift Values>> N :: 120.67(3.48) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.46 I 0.02 C 0.02 C Shift Assignments>> C :: 180.124 CA :: 54.644 CB :: 18.023 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.388 HA :: 4.271 HB1 :: 1.319 HB2 :: 1.319 HB3 :: 1.319 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.768 Ave N Shift Values>> N :: 123.23(3.54) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.4 C Shift Assignments>> C :: 177.337 CA :: 57.323 CB :: 41.926 CG :: 26.800 CD1 :: 23.274 CD2 :: 23.085 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 :: 7.375 HA :: 3.956 HB2 :: 1.089 HB3 :: 1.840 HG :: 1.179 HD11 :: 0.624 HD12 :: 0.624 HD13 :: 0.624 HD21 :: 0.545 HD22 :: 0.545 HD23 :: 0.545 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 :: 119.076 Ave N Shift Values>> N :: 121.86(3.9) 1.Y115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.42 C Shift Assignments>> C :: 178.754 CA :: 61.265 CB :: 37.321 CD1 :: 132.457 CE1 :: 117.989 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 :: 7.617 HA :: 3.846 HB2 :: 2.968 HB3 :: 2.988 HD1 :: 6.604 HD2 :: 6.604 HE1 :: 6.494 HE2 :: 6.494 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 :: 118.265 Ave N Shift Values>> N :: 120.52(4.2) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.42 I 0.03 C 0.02 HN Overlap>> 1.E89 1.E89 1.Y124 1.Y124 C Shift Assignments>> C :: 180.233 CA :: 55.058 CB :: 18.250 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.290 HA :: 4.137 HB1 :: 1.623 HB2 :: 1.623 HB3 :: 1.623 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.886 Ave N Shift Values>> N :: 123.23(3.54) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.37 C 0.17 HN Overlap>> 1.V64 1.F98 1.V64 1.F98 C Shift Assignments>> C :: 176.632 CA :: 61.410 CB :: 40.041 CD1 :: 132.248 CE1 :: 129.641 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 :: 7.797 HA :: 3.910 HB2 :: 2.885 HB3 :: 3.074 HD1 :: 6.647 HD2 :: 6.647 HE1 :: 6.453 HE2 :: 6.453 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 :: 119.912 Ave N Shift Values>> N :: 120.45(4.18) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.22 A 0.11 R 0.05 G 0.01 C Shift Assignments>> C :: 175.313 CA :: 54.571 CB :: 42.235 CG :: 26.400 CD1 :: 26.040 CD2 :: 22.220 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 :: 7.739 HA :: 4.204 HB2 :: 1.873 HB3 :: 1.739 HG :: 1.868 HD11 :: 0.504 HD12 :: 0.504 HD13 :: 0.504 HD21 :: 0.747 HD22 :: 0.747 HD23 :: 0.747 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.626 Ave N Shift Values>> N :: 121.86(3.9) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.25 S 0.19 V 0.19 T 0.16 I 0.13 C 0.03 F 0.01 C Shift Assignments>> CB :: 63.357 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.327 HB2 :: 3.880 HB3 :: 3.848 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.852 Ave N Shift Values>> N :: 116.28(3.52) 1.P120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.796 CA :: 63.016 CB :: 30.994 CG :: 26.688 CD :: 49.396 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 :: 4.254 HB2 :: 1.636 HB3 :: 1.690 HG2 :: 1.362 HG3 :: 0.835 HD2 :: 2.771 HD3 :: 3.098 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.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F80 1.F80 C Shift Assignments>> CA :: 56.636 CB :: 63.424 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.069 HA :: 4.690 HB2 :: 3.881 HB3 :: 3.881 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 :: 117.613 Ave N Shift Values>> N :: 116.28(3.52) 1.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 175.975 CA :: 63.875 CB :: 32.011 CG :: 27.364 CD :: 50.896 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 :: 4.385 HB2 :: 1.867 HB3 :: 2.247 HG2 :: 1.989 HG3 :: 1.989 HD2 :: 3.763 HD3 :: 3.787 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.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 N 0.09 F 0.08 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.L108 1.L108 1.F80 1.F80 C Shift Assignments>> C :: 175.148 CA :: 54.048 CB :: 41.352 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 :: 8.112 HA :: 4.519 HB2 :: 2.569 HB3 :: 2.521 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 :: 117.735 Ave N Shift Values>> N :: 120.65(3.86) 1.Y124 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.E89 1.A116 1.F87 1.R58 1.E89 1.A116 1.F87 1.R58 C Shift Assignments>> C :: 174.210 CA :: 58.227 CB :: 38.871 CD1 :: 133.204 CE1 :: 118.547 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 :: 8.324 HA :: 4.497 HB2 :: 2.837 HB3 :: 2.987 HD1 :: 7.111 HD2 :: 7.111 HE1 :: 6.770 HE2 :: 6.770 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.970 Ave N Shift Values>> N :: 120.52(4.2) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.32 G 0.16 C Shift Assignments>> CA :: 56.636 CB :: 43.947 CG :: 27.171 CD1 :: 23.740 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 :: 7.502 HA :: 4.074 HB2 :: 1.474 HB3 :: 1.474 HG :: 1.456 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.729 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 119 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 125 #Suspicious: 0 C Shift Results: #Consistent: 535 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 875 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V31 HB = 0.252(S), Expected = 1.98, Std = 0.3200, ChiSquare = 6.6641e-08 1.R48 HG3 = 0.302(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.9638e-05 1.R48 HD3 = 1.938(S), Expected = 3.10, Std = 0.2600, ChiSquare = 7.8501e-06 1.E52 HB2 = 2.748(S), Expected = 2.02, Std = 0.2100, ChiSquare = 5.2695e-04 1.L56 HD21 = -0.326(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7118e-04 1.L56 HD22 = -0.326(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7118e-04 1.L56 HD23 = -0.326(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7118e-04 1.S91 HB2 = 2.965(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.5222e-04 1.L95 HD11 = -0.882(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5904e-09 1.L95 HD12 = -0.882(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5904e-09 1.L95 HD13 = -0.882(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5904e-09