Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.457 CA :: 58.902 CB :: 63.996 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.398 HB2 :: 3.894 HB3 :: 3.938 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.F2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.508 CA :: 58.582 CB :: 39.283 CD1 :: 131.880 CD2 :: 131.880 CE1 :: 131.399 CE2 :: 131.399 CZ :: 129.822 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 :: 8.483 HA :: 4.588 HB2 :: 3.164 HB3 :: 3.060 HD1 :: 7.239 HD2 :: 7.239 HE1 :: 7.290 HE2 :: 7.290 HZ :: 7.278 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 :: 122.654 Ave N Shift Values>> N :: 120.45(4.18) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 K 0.14 F 0.13 Y 0.1 N 0.06 R 0.01 C Shift Assignments>> C :: 176.873 CA :: 55.288 CB :: 41.159 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 :: 8.276 HA :: 4.441 HB2 :: 2.559 HB3 :: 2.665 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 :: 121.026 Ave N Shift Values>> N :: 120.65(3.86) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.87 G 0.12 HN Overlap>> 1.R39 1.L5 1.R39 1.L5 C Shift Assignments>> C :: 176.985 CA :: 57.433 CB :: 30.436 CG :: 27.117 CD :: 43.400 CZ :: 159.696 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 :: 8.080 HA :: 4.185 HB2 :: 1.844 HB3 :: 1.844 HG2 :: 1.637 HG3 :: 1.637 HD2 :: 3.202 HD3 :: 3.202 HE :: 7.312 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.328 NE :: 84.875 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.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.08 G 0.01 HN Overlap>> 1.R4 1.R39 1.R4 1.R39 C Shift Assignments>> C :: 178.321 CA :: 56.740 CB :: 41.939 CG :: 27.346 CD1 :: 23.880 CD2 :: 25.152 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 :: 8.023 HA :: 4.171 HB2 :: 1.661 HB3 :: 1.722 HG :: 1.625 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 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 :: 121.311 Ave N Shift Values>> N :: 121.86(3.9) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 C Shift Assignments>> C :: 178.322 CA :: 56.680 CB :: 41.927 CG :: 27.169 CD1 :: 25.119 CD2 :: 23.695 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 :: 8.020 HA :: 4.167 HB2 :: 1.586 HB3 :: 1.586 HG :: 1.617 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 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 :: 121.066 Ave N Shift Values>> N :: 121.86(3.9) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.25 C Shift Assignments>> C :: 179.584 CA :: 53.834 CB :: 18.818 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.921 HA :: 4.249 HB1 :: 1.456 HB2 :: 1.456 HB3 :: 1.456 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.732 Ave N Shift Values>> N :: 123.23(3.54) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.14 K 0.11 Q 0.07 M 0.05 HN Overlap>> 1.Q34 1.N17 1.Q34 1.N17 C Shift Assignments>> C :: 177.992 CA :: 58.288 CB :: 29.711 CG :: 36.310 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 :: 8.327 HA :: 4.184 HB2 :: 2.064 HB3 :: 2.064 HG2 :: 2.289 HG3 :: 2.371 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 :: 119.405 Ave N Shift Values>> N :: 120.67(3.48) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.81 D 0.18 C Shift Assignments>> C :: 176.697 CA :: 55.480 CB :: 38.723 CG :: 175.979 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 :: 8.286 HA :: 4.515 HB2 :: 2.827 HB3 :: 2.890 HD21 :: 7.643 HD22 :: 6.787 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 :: 119.031 ND2 :: 110.863 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.2 K 0.1 Q 0.05 M 0.04 C Shift Assignments>> C :: 178.279 CA :: 58.967 CB :: 29.715 CG :: 36.357 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 :: 8.179 HA :: 4.142 HB2 :: 2.092 HB3 :: 2.092 HG2 :: 2.254 HG3 :: 2.367 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 :: 120.631 Ave N Shift Values>> N :: 120.67(3.48) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S59 1.S59 C Shift Assignments>> C :: 176.911 CA :: 60.524 CB :: 63.335 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 :: 4.336 HB2 :: 4.010 HB3 :: 4.078 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 :: 115.475 Ave N Shift Values>> N :: 116.28(3.52) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.07 C Shift Assignments>> C :: 178.861 CA :: 58.250 CB :: 41.710 CG :: 26.980 CD1 :: 23.859 CD2 :: 25.602 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 :: 4.041 HB2 :: 1.923 HB3 :: 1.404 HG :: 1.831 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 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 :: 122.021 Ave N Shift Values>> N :: 121.86(3.9) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.84 E 0.15 C Shift Assignments>> C :: 178.601 CA :: 59.582 CB :: 28.331 CG :: 34.114 CD :: 179.717 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 :: 8.353 HA :: 3.862 HB2 :: 2.155 HB3 :: 2.191 HG2 :: 2.397 HG3 :: 2.397 HE21 :: 6.690 HE22 :: 7.403 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 :: 117.651 NE2 :: 111.391 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.82 E 0.17 HN Overlap>> 1.R36 1.R36 C Shift Assignments>> C :: 179.205 CA :: 59.159 CB :: 28.189 CG :: 33.947 CD :: 180.269 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 :: 7.953 HA :: 4.121 HB2 :: 2.238 HB3 :: 2.237 HG2 :: 2.481 HG3 :: 2.569 HE21 :: 7.474 HE22 :: 6.806 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.593 NE2 :: 111.848 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 HN Overlap>> 1.D49 1.D49 C Shift Assignments>> C :: 179.822 CA :: 59.431 CB :: 32.828 CG :: 25.589 CD :: 29.326 CE :: 41.965 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 :: 8.006 HA :: 4.130 HB2 :: 1.812 HB3 :: 2.055 HG2 :: 1.539 HG3 :: 1.675 HD2 :: 1.619 HD3 :: 1.619 HE2 :: 2.957 HE3 :: 2.957 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 :: 120.462 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.288 CA :: 64.986 CB :: 37.487 CG1 :: 29.974 CG2 :: 18.034 CD1 :: 14.479 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 :: 8.323 HA :: 3.648 HB :: 1.953 HG12 :: 0.972 HG13 :: 1.727 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 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 :: 120.201 Ave N Shift Values>> N :: 121.46(4.28) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.81 D 0.18 HN Overlap>> 1.E8 1.Q34 1.E8 1.Q34 C Shift Assignments>> C :: 178.130 CA :: 56.657 CB :: 38.240 CG :: 176.042 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 :: 8.294 HA :: 4.537 HB2 :: 2.910 HB3 :: 2.954 HD21 :: 6.884 HD22 :: 7.591 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 :: 119.422 ND2 :: 111.127 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.278 CA :: 62.092 CB :: 62.904 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.108 HA :: 4.263 HB2 :: 4.069 HB3 :: 4.044 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 :: 114.613 Ave N Shift Values>> N :: 116.28(3.52) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 R 0.4 G 0.07 C Shift Assignments>> C :: 178.912 CA :: 58.049 CB :: 42.899 CG :: 27.336 CD1 :: 23.375 CD2 :: 26.487 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 :: 7.987 HA :: 4.151 HB2 :: 2.122 HB3 :: 1.421 HG :: 1.888 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.904 HD22 :: 0.904 HD23 :: 0.904 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 :: 123.703 Ave N Shift Values>> N :: 121.86(3.9) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.45 K 0.03 M 0.01 C Shift Assignments>> C :: 179.775 CA :: 60.194 CB :: 29.775 CG :: 37.043 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 :: 8.547 HA :: 4.005 HB2 :: 2.098 HB3 :: 2.383 HG2 :: 2.203 HG3 :: 2.577 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 :: 120.547 Ave N Shift Values>> N :: 120.67(3.48) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R67 1.R67 C Shift Assignments>> C :: 179.212 CA :: 66.740 CB :: 31.864 CG1 :: 21.226 CG2 :: 22.756 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 :: 7.856 HA :: 3.665 HB :: 2.284 HG11 :: 0.996 HG12 :: 0.996 HG13 :: 0.996 HG21 :: 1.135 HG22 :: 1.135 HG23 :: 1.135 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 :: 120.131 Ave N Shift Values>> N :: 121.14(4.54) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.31 E 0.23 I 0.06 R 0.03 M 0.02 C Shift Assignments>> C :: 178.694 CA :: 58.684 CB :: 28.942 CG :: 34.587 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 :: 8.057 HA :: 4.350 HB2 :: 2.062 HB3 :: 2.193 HG2 :: 2.299 HG3 :: 2.406 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 :: 121.473 Ave N Shift Values>> N :: 120.67(3.48) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 A 0.16 I 0.06 C Shift Assignments>> C :: 180.213 CA :: 55.810 CB :: 17.001 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.786 HA :: 4.024 HB1 :: 1.476 HB2 :: 1.476 HB3 :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.873 Ave N Shift Values>> N :: 123.23(3.54) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 G 0.01 C Shift Assignments>> C :: 179.996 CA :: 59.265 CB :: 32.064 CG :: 25.240 CD :: 28.987 CE :: 42.178 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 :: 7.712 HA :: 4.135 HB2 :: 2.016 HB3 :: 1.981 HG2 :: 1.527 HG3 :: 1.649 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 2.995 HE3 :: 2.995 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 :: 118.075 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.89 G 0.1 C Shift Assignments>> C :: 180.226 CA :: 59.713 CB :: 30.013 CG :: 27.565 CD :: 43.191 CZ :: 159.786 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 :: 8.081 HA :: 4.113 HB2 :: 1.997 HB3 :: 2.092 HG2 :: 1.587 HG3 :: 1.780 HD2 :: 3.153 HD3 :: 3.304 HE :: 7.765 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 :: 123.174 NE :: 83.989 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.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.09 C Shift Assignments>> C :: 179.978 CA :: 58.203 CB :: 41.332 CG :: 27.175 CD1 :: 23.107 CD2 :: 26.082 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 :: 8.662 HA :: 4.115 HB2 :: 1.721 HB3 :: 2.133 HG :: 1.996 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 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 :: 121.802 Ave N Shift Values>> N :: 121.86(3.9) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.93 E 0.06 C Shift Assignments>> C :: 179.017 CA :: 58.973 CB :: 27.769 CG :: 33.401 CD :: 179.963 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 :: 8.304 HA :: 4.012 HB2 :: 2.127 HB3 :: 2.298 HG2 :: 2.456 HG3 :: 2.478 HE21 :: 6.715 HE22 :: 7.628 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.604 NE2 :: 111.437 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 A 0.01 C Shift Assignments>> C :: 177.134 CA :: 47.183 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.129 HA2 :: 3.941 HA3 :: 3.995 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.099 Ave N Shift Values>> N :: 109.67(3.87) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.345 CA :: 61.498 CB :: 38.709 CD1 :: 132.621 CD2 :: 132.621 CE1 :: 131.388 CE2 :: 131.388 CZ :: 129.356 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 :: 8.195 HA :: 4.467 HB2 :: 3.339 HB3 :: 3.245 HD1 :: 7.344 HD2 :: 7.344 HE1 :: 7.335 HE2 :: 7.335 HZ :: 7.231 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 :: 124.390 Ave N Shift Values>> N :: 120.45(4.18) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 E 0.2 F 0.18 N 0.17 M 0.06 D 0.04 I 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 177.670 CA :: 55.969 CB :: 37.532 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 :: 7.947 HA :: 4.465 HB2 :: 1.953 HB3 :: 2.810 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 :: 119.076 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.31 K 0.1 Q 0.05 M 0.01 C Shift Assignments>> C :: 179.092 CA :: 59.620 CB :: 29.194 CG :: 36.259 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 :: 7.714 HA :: 4.011 HB2 :: 2.117 HB3 :: 2.205 HG2 :: 2.279 HG3 :: 2.506 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 :: 119.744 Ave N Shift Values>> N :: 120.67(3.48) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.234 CA :: 60.196 CB :: 37.350 CD1 :: 133.936 CD2 :: 133.936 CE1 :: 117.944 CE2 :: 117.944 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 :: 7.424 HA :: 4.387 HB2 :: 3.213 HB3 :: 3.114 HD1 :: 6.824 HD2 :: 6.824 HE1 :: 6.722 HE2 :: 6.722 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 :: 122.222 Ave N Shift Values>> N :: 120.52(4.2) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.477 CA :: 66.766 CB :: 31.616 CG1 :: 25.105 CG2 :: 22.165 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 :: 8.550 HA :: 2.960 HB :: 2.231 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 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 :: 121.265 Ave N Shift Values>> N :: 121.14(4.54) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.84 E 0.15 HN Overlap>> 1.E8 1.E8 1.N17 1.N17 C Shift Assignments>> C :: 177.439 CA :: 59.637 CB :: 28.917 CG :: 33.715 CD :: 180.236 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 :: 8.365 HA :: 3.963 HB2 :: 2.246 HB3 :: 2.415 HG2 :: 2.450 HG3 :: 2.500 HE21 :: 6.604 HE22 :: 7.733 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 :: 119.374 NE2 :: 112.525 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 0.48 I 0.29 K 0.13 Q 0.07 M 0.01 C Shift Assignments>> C :: 179.376 CA :: 59.626 CB :: 29.054 CG :: 36.037 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 :: 7.511 HA :: 4.121 HB2 :: 2.137 HB3 :: 2.137 HG2 :: 2.252 HG3 :: 2.459 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.116 Ave N Shift Values>> N :: 120.67(3.48) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.95 G 0.04 HN Overlap>> 1.Q14 1.Q14 C Shift Assignments>> C :: 179.361 CA :: 59.056 CB :: 29.558 CG :: 26.473 CD :: 42.643 CZ :: 160.123 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 :: 7.996 HA :: 3.876 HB2 :: 1.623 HB3 :: 1.623 HG2 :: 1.379 HG3 :: 1.268 HD2 :: 3.071 HD3 :: 2.792 HE :: 7.412 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.596 NE :: 83.952 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.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.06 C Shift Assignments>> C :: 179.817 CA :: 57.961 CB :: 41.573 CG :: 26.394 CD1 :: 23.612 CD2 :: 26.115 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 :: 8.810 HA :: 3.841 HB2 :: 1.949 HB3 :: 1.245 HG :: 1.774 HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 HD21 :: 0.708 HD22 :: 0.708 HD23 :: 0.708 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.266 Ave N Shift Values>> N :: 121.86(3.9) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.34 I 0.12 D 0.07 L 0.06 N 0.02 C Shift Assignments>> C :: 178.452 CA :: 57.927 CB :: 39.510 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 :: 8.464 HA :: 4.338 HB2 :: 2.734 HB3 :: 2.905 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 :: 122.794 Ave N Shift Values>> N :: 120.65(3.86) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.87 G 0.12 HN Overlap>> 1.R4 1.R4 1.L5 1.L5 C Shift Assignments>> C :: 178.730 CA :: 59.248 CB :: 30.152 CG :: 26.849 CD :: 43.309 CZ :: 159.735 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 :: 7.990 HA :: 4.155 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 1.724 HG3 :: 1.813 HD2 :: 3.264 HD3 :: 3.264 HE :: 7.488 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.297 NE :: 85.595 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.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.N50 1.N50 C Shift Assignments>> C :: 177.786 CA :: 64.855 CB :: 38.252 CG1 :: 29.738 CG2 :: 17.621 CD1 :: 14.257 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 :: 8.235 HA :: 3.726 HB :: 1.728 HG12 :: 1.634 HG13 :: 0.919 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 HD11 :: 0.644 HD12 :: 0.644 HD13 :: 0.644 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 :: 119.815 Ave N Shift Values>> N :: 121.46(4.28) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.033 CA :: 68.024 CB :: 68.732 CG2 :: 21.126 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 :: 8.111 HA :: 3.778 HB :: 4.357 HG21 :: 1.299 HG22 :: 1.299 HG23 :: 1.299 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 :: 116.251 Ave N Shift Values>> N :: 115.42(4.75) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.2 K 0.2 L 0.15 D 0.09 I 0.04 R 0.02 C Shift Assignments>> C :: 178.797 CA :: 57.782 CB :: 41.217 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 :: 7.905 HA :: 4.448 HB2 :: 2.740 HB3 :: 2.830 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 :: 121.939 Ave N Shift Values>> N :: 120.65(3.86) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 L 0.12 D 0.12 I 0.07 K 0.03 N 0.02 C Shift Assignments>> C :: 179.562 CA :: 57.429 CB :: 40.194 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 :: 8.347 HA :: 4.494 HB2 :: 2.815 HB3 :: 2.556 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 :: 120.340 Ave N Shift Values>> N :: 120.65(3.86) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.428 CA :: 61.364 CB :: 38.554 CD1 :: 131.742 CD2 :: 131.742 CE1 :: 131.045 CE2 :: 131.045 CZ :: 129.283 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 :: 8.846 HA :: 4.261 HB2 :: 3.332 HB3 :: 3.438 HD1 :: 7.148 HD2 :: 7.148 HE1 :: 7.193 HE2 :: 7.193 HZ :: 7.083 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 :: 122.489 Ave N Shift Values>> N :: 120.45(4.18) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.708 CA :: 67.340 CB :: 31.623 CG1 :: 22.998 CG2 :: 21.411 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 :: 8.403 HA :: 3.477 HB :: 2.335 HG11 :: 1.226 HG12 :: 1.226 HG13 :: 1.226 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 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 :: 120.707 Ave N Shift Values>> N :: 121.14(4.54) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.29 G 0.02 C Shift Assignments>> C :: 179.370 CA :: 59.341 CB :: 32.155 CG :: 25.641 CD :: 29.110 CE :: 42.369 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 :: 7.655 HA :: 4.143 HB2 :: 1.968 HB3 :: 1.968 HG2 :: 1.534 HG3 :: 1.659 HD2 :: 1.739 HD3 :: 1.739 HE2 :: 3.021 HE3 :: 3.021 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 :: 118.988 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 C Shift Assignments>> C :: 177.844 CA :: 58.551 CB :: 32.561 CG :: 32.167 CE :: 17.016 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 :: 8.052 HA :: 4.085 HB2 :: 2.194 HB3 :: 1.974 HG2 :: 2.206 HG3 :: 2.316 HE1 :: 1.671 HE2 :: 1.671 HE3 :: 1.671 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 :: 120.256 Ave N Shift Values>> N :: 120.09(3.57) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.14 G 0.01 C Shift Assignments>> C :: 179.166 CA :: 60.574 CB :: 31.729 CG :: 25.309 CD :: 29.503 CE :: 41.916 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 :: 8.502 HA :: 3.770 HB2 :: 1.895 HB3 :: 1.666 HG2 :: 1.331 HG3 :: 1.417 HD2 :: 1.643 HD3 :: 1.682 HE2 :: 2.943 HE3 :: 2.943 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.036 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 L 0.13 D 0.11 I 0.07 K 0.06 N 0.01 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> C :: 179.118 CA :: 57.576 CB :: 40.424 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 :: 7.993 HA :: 4.488 HB2 :: 2.818 HB3 :: 2.739 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 :: 120.401 Ave N Shift Values>> N :: 120.65(3.86) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.87 D 0.12 HN Overlap>> 1.I40 1.I40 C Shift Assignments>> C :: 178.179 CA :: 55.936 CB :: 38.145 CG :: 175.759 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 :: 8.182 HA :: 4.525 HB2 :: 2.892 HB3 :: 2.650 HD21 :: 7.171 HD22 :: 6.929 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 :: 119.728 ND2 :: 110.723 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.899 CA :: 61.295 CB :: 38.543 CD1 :: 131.472 CD2 :: 131.472 CE1 :: 131.013 CE2 :: 131.013 CZ :: 129.871 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 :: 8.868 HA :: 4.148 HB2 :: 3.322 HB3 :: 3.322 HD1 :: 7.147 HD2 :: 7.147 HE1 :: 7.239 HE2 :: 7.239 HZ :: 7.237 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 :: 121.785 Ave N Shift Values>> N :: 120.45(4.18) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.25 K 0.15 Q 0.09 M 0.01 C Shift Assignments>> C :: 179.833 CA :: 59.275 CB :: 28.858 CG :: 35.928 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 :: 8.191 HA :: 4.026 HB2 :: 2.203 HB3 :: 2.244 HG2 :: 2.513 HG3 :: 2.513 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 :: 119.232 Ave N Shift Values>> N :: 120.67(3.48) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.358 CA :: 66.751 CB :: 68.700 CG2 :: 21.984 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.108 HA :: 4.026 HB :: 4.371 HG21 :: 1.288 HG22 :: 1.288 HG23 :: 1.288 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 :: 117.010 Ave N Shift Values>> N :: 115.42(4.75) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 C Shift Assignments>> C :: 178.381 CA :: 58.294 CB :: 41.810 CG :: 26.633 CD1 :: 24.882 CD2 :: 25.608 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 :: 7.892 HA :: 4.056 HB2 :: 1.826 HB3 :: 1.623 HG :: 1.750 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.964 Ave N Shift Values>> N :: 121.86(3.9) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.23 C Shift Assignments>> C :: 179.485 CA :: 60.050 CB :: 30.199 CG :: 26.978 CD :: 43.770 CZ :: 160.086 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.413 HA :: 3.738 HB2 :: 1.598 HB3 :: 1.895 HG2 :: 1.567 HG3 :: 1.567 HD2 :: 3.167 HD3 :: 3.167 HE :: 7.534 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.756 NE :: 84.550 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.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.601 CA :: 66.771 CB :: 68.761 CG2 :: 21.855 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 :: 8.157 HA :: 3.964 HB :: 4.377 HG21 :: 1.279 HG22 :: 1.279 HG23 :: 1.279 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 :: 117.538 Ave N Shift Values>> N :: 115.42(4.75) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.34 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.923 CA :: 59.858 CB :: 29.705 CG :: 36.575 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 :: 8.203 HA :: 4.063 HB2 :: 1.999 HB3 :: 2.215 HG2 :: 2.539 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 :: 122.844 Ave N Shift Values>> N :: 120.67(3.48) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.09 C Shift Assignments>> C :: 178.455 CA :: 58.013 CB :: 41.357 CG :: 27.240 CD1 :: 24.011 CD2 :: 26.159 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 :: 8.684 HA :: 4.082 HB2 :: 1.547 HB3 :: 1.868 HG :: 1.613 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.322 Ave N Shift Values>> N :: 121.86(3.9) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S11 1.S11 C Shift Assignments>> C :: 177.362 CA :: 61.777 CB :: 62.789 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.156 HA :: 4.383 HB2 :: 4.039 HB3 :: 4.073 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 :: 115.543 Ave N Shift Values>> N :: 116.28(3.52) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.29 K 0.09 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.926 CA :: 59.427 CB :: 29.431 CG :: 36.408 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 :: 8.062 HA :: 4.087 HB2 :: 2.082 HB3 :: 2.168 HG2 :: 2.443 HG3 :: 2.251 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 :: 121.653 Ave N Shift Values>> N :: 120.67(3.48) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.31 I 0.03 C Shift Assignments>> C :: 179.656 CA :: 55.109 CB :: 17.451 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.946 HA :: 4.101 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.353 Ave N Shift Values>> N :: 123.23(3.54) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.81 E 0.18 C Shift Assignments>> C :: 178.769 CA :: 58.891 CB :: 28.958 CG :: 34.201 CD :: 179.498 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 :: 8.387 HA :: 4.017 HB2 :: 2.055 HB3 :: 2.055 HG2 :: 2.271 HG3 :: 2.504 HE21 :: 7.407 HE22 :: 6.903 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 :: 115.501 NE2 :: 110.737 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.8 E 0.19 C Shift Assignments>> C :: 178.193 CA :: 58.503 CB :: 28.513 CG :: 33.948 CD :: 180.284 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 :: 7.897 HA :: 4.073 HB2 :: 2.204 HB3 :: 2.204 HG2 :: 2.465 HG3 :: 2.532 HE21 :: 6.807 HE22 :: 7.347 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.295 NE2 :: 111.659 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.32 G 0.01 C Shift Assignments>> C :: 178.369 CA :: 58.511 CB :: 32.834 CG :: 25.681 CD :: 29.338 CE :: 42.339 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 :: 7.762 HA :: 4.119 HB2 :: 1.945 HB3 :: 1.945 HG2 :: 1.469 HG3 :: 1.641 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 2.983 HE3 :: 2.983 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 :: 118.912 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.1 G 0.02 C Shift Assignments>> C :: 178.008 CA :: 56.504 CB :: 42.446 CG :: 26.954 CD1 :: 25.316 CD2 :: 23.887 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 :: 7.848 HA :: 4.171 HB2 :: 1.807 HB3 :: 1.590 HG :: 1.746 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.535 Ave N Shift Values>> N :: 121.86(3.9) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.84 G 0.15 C Shift Assignments>> C :: 176.869 CA :: 57.261 CB :: 30.541 CG :: 27.508 CD :: 43.564 CZ :: 159.696 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 :: 7.771 HA :: 4.235 HB2 :: 1.856 HB3 :: 1.914 HG2 :: 1.667 HG3 :: 1.752 HD2 :: 3.196 HD3 :: 3.196 HE :: 7.223 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.197 NE :: 85.044 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.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.85 G 0.14 HN Overlap>> 1.V21 1.V21 C Shift Assignments>> C :: 176.678 CA :: 56.716 CB :: 30.631 CG :: 27.297 CD :: 43.534 CZ :: 159.696 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 :: 7.907 HA :: 4.309 HB2 :: 1.921 HB3 :: 1.851 HG2 :: 1.681 HG3 :: 1.740 HD2 :: 3.223 HD3 :: 3.223 HE :: 7.258 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 :: 120.135 NE :: 85.003 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.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.76 E 0.23 C Shift Assignments>> C :: 175.975 CA :: 56.467 CB :: 29.360 CG :: 34.009 CD :: 180.284 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 :: 8.131 HA :: 4.305 HB2 :: 2.147 HB3 :: 2.058 HG2 :: 2.408 HG3 :: 2.408 HE21 :: 6.792 HE22 :: 7.508 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.357 NE2 :: 111.575 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.75 E 0.24 C Shift Assignments>> C :: 175.466 CA :: 56.016 CB :: 29.738 CG :: 33.937 CD :: 180.621 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 :: 8.183 HA :: 4.369 HB2 :: 2.025 HB3 :: 2.143 HG2 :: 2.382 HG3 :: 2.382 HE21 :: 6.777 HE22 :: 7.512 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.151 NE2 :: 111.938 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.25 K 0.14 F 0.1 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 175.091 CA :: 54.617 CB :: 41.337 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 :: 8.246 HA :: 4.649 HB2 :: 2.751 HB3 :: 2.612 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 :: 121.628 Ave N Shift Values>> N :: 120.65(3.86) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.75 N 0.24 C Shift Assignments>> C :: 179.467 CA :: 54.911 CB :: 40.701 CG :: 178.467 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 :: 7.884 HA :: 4.457 HB2 :: 2.676 HB3 :: 2.752 HD21 :: 6.727 HD22 :: 7.410 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.766 ND2 :: 112.349 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 71 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 71 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 71 #Suspicious: 0 C Shift Results: #Consistent: 345 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 535 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 89 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0