Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> C :: 176.902 CA :: 52.244 CB :: 19.250 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.171 HB1 :: 1.261 HB2 :: 1.261 HB3 :: 1.261 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 HN Overlap>> 1.A4 1.L90 1.A4 1.L90 C Shift Assignments>> C :: 176.978 CA :: 52.168 CB :: 19.446 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.234 HA :: 4.238 HB1 :: 1.269 HB2 :: 1.269 HB3 :: 1.269 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.993 Ave N Shift Values>> N :: 123.23(3.54) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 HN Overlap>> 1.A3 1.A3 1.L90 1.L90 C Shift Assignments>> C :: 177.058 CA :: 52.022 CB :: 19.226 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.161 HA :: 4.175 HB1 :: 1.216 HB2 :: 1.216 HB3 :: 1.216 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.956 Ave N Shift Values>> N :: 123.23(3.54) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 173.923 CA :: 59.170 CB :: 32.288 CG1 :: 21.093 CG2 :: 20.230 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 :: 7.844 HA :: 3.840 HB :: 1.597 HG11 :: 0.696 HG12 :: 0.696 HG13 :: 0.696 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 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 :: 120.309 Ave N Shift Values>> N :: 121.14(4.54) 1.P6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 175.242 CA :: 62.342 CB :: 31.630 CG :: 27.144 CD :: 49.630 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 :: 4.126 HB2 :: 1.454 HB3 :: 1.454 HG2 :: 1.272 HG3 :: 1.208 HD2 :: 3.057 HD3 :: 2.044(S) 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.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.23 C 0.22 M 0.15 E 0.03 R 0.01 C Shift Assignments>> C :: 175.645 CA :: 54.504 CB :: 29.954 CG :: 33.464 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 :: 8.099 HA :: 4.098 HB2 :: 1.749 HB3 :: 1.682 HG2 :: 2.171 HG3 :: 2.132 HE21 :: 7.370 HE22 :: 6.726 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 :: 118.157 NE2 :: 113.058 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 C 0.35 G 0.15 L 0.07 K 0.01 HN Overlap>> 1.K86 1.K86 C Shift Assignments>> C :: 175.347 CA :: 55.818 CB :: 28.752 CG :: 27.613 CD :: 43.862 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 :: 8.293 HA :: 3.411 HB2 :: 1.217 HB3 :: 0.355(S) HG2 :: 0.803 HG3 :: 0.776 HD2 :: 2.729 HD3 :: 2.535 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 :: 124.808 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.A9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 177.040 CA :: 52.857 CB :: 19.248 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.192 HA :: 3.885 HB1 :: 0.385(S) HB2 :: 0.385(S) HB3 :: 0.385(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.431 Ave N Shift Values>> N :: 123.23(3.54) 1.W10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.3 C 0.29 C Shift Assignments>> C :: 176.973 CA :: 55.364 CB :: 30.821 CE3 :: 121.025 CH2 :: 122.768 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 :: 7.042 HA :: 5.415 HB2 :: 2.633 HB3 :: 2.522 HD1 :: 6.874 HE1 :: 10.045 HE3 :: 6.750 HZ2 :: 7.331 HZ3 :: 6.514 HH2 :: 6.934 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 :: 114.891 NE1 :: 130.000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 175.522 CA :: 60.047 CB :: 71.163 CG2 :: 21.737 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 :: 8.785 HA :: 4.398 HB :: 4.667 HG21 :: 1.235 HG22 :: 1.235 HG23 :: 1.235 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.480 Ave N Shift Values>> N :: 115.42(4.75) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.966 CA :: 67.169 CB :: 31.129 CG1 :: 22.861 CG2 :: 21.407 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 :: 8.839 HA :: 3.556 HB :: 2.000 HG11 :: 1.047 HG12 :: 1.047 HG13 :: 1.047 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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 :: 120.355 Ave N Shift Values>> N :: 121.14(4.54) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.36 E 0.21 K 0.02 C Shift Assignments>> C :: 179.711 CA :: 60.263 CB :: 28.700 CG :: 36.860 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 :: 8.328 HA :: 3.767 HB2 :: 1.926 HB3 :: 1.776 HG2 :: 2.268 HG3 :: 2.125 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.340 Ave N Shift Values>> N :: 120.67(3.48) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.19 K 0.19 Q 0.18 I 0.06 R 0.02 C Shift Assignments>> C :: 178.982 CA :: 58.781 CB :: 28.656 CG :: 34.926 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 :: 7.531 HA :: 3.794 HB2 :: 2.306 HB3 :: 1.710 HG2 :: 2.352 HG3 :: 2.304 HE21 :: 7.478 HE22 :: 6.812 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 :: 118.749 NE2 :: 110.564 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.36 R 0.18 G 0.06 HN Overlap>> 1.T143 1.T143 C Shift Assignments>> C :: 178.090 CA :: 57.473 CB :: 43.181 CG :: 26.435 CD1 :: 26.943 CD2 :: 23.818 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 :: 8.051 HA :: 3.441 HB2 :: 1.881 HB3 :: 0.951 HG :: 1.387 HD11 :: 0.508 HD12 :: 0.508 HD13 :: 0.508 HD21 :: -0.054 HD22 :: -0.054 HD23 :: -0.054 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 :: 118.269 Ave N Shift Values>> N :: 121.86(3.9) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.35 K 0.15 G 0.05 C Shift Assignments>> C :: 176.142 CA :: 57.532 CB :: 30.455 CG :: 28.831 CD :: 43.277 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 :: 7.564 HA :: 3.667 HB2 :: 1.789 HB3 :: 1.577 HG2 :: 1.729 HG3 :: 1.383 HD2 :: 3.021 HD3 :: 2.989 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 113.420 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.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.380 CA :: 58.156 CB :: 63.787 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.164 HA :: 4.163 HB2 :: 3.958 HB3 :: 3.871 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 :: 115.770 Ave N Shift Values>> N :: 116.28(3.52) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.11 I 0.08 Q 0.07 M 0.01 C Shift Assignments>> C :: 177.506 CA :: 57.531 CB :: 29.132 CG :: 36.155 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 :: 8.867 HA :: 4.040 HB2 :: 1.977 HB3 :: 1.871 HG2 :: 2.257 HG3 :: 2.207 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 :: 124.392 Ave N Shift Values>> N :: 120.67(3.48) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.25 E 0.09 R 0.05 M 0.01 I 0.01 C Shift Assignments>> C :: 174.957 CA :: 57.044 CB :: 28.430 CG :: 34.180 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 :: 7.968 HA :: 3.934 HB2 :: 2.018 HB3 :: 1.838 HG2 :: 2.277 HG3 :: 2.253 HE21 :: 7.470 HE22 :: 6.784 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 :: 115.833 NE2 :: 112.480 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.74 C 0.1 A 0.09 G 0.04 C Shift Assignments>> C :: 173.005 CA :: 51.123 CB :: 42.372 CG :: 26.639 CD1 :: 24.062 CD2 :: 22.998 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 :: 7.041 HA :: 4.671 HB2 :: 1.479 HB3 :: 0.776 HG :: 0.743 HD11 :: -0.587(S) HD12 :: -0.587(S) HD13 :: -0.587(S) HD21 :: 0.173 HD22 :: 0.173 HD23 :: 0.173 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 :: 123.224 Ave N Shift Values>> N :: 121.86(3.9) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 177.827 CA :: 62.252 CB :: 32.728 CG :: 27.660 CD :: 51.320 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 :: 4.347 HB2 :: 2.345 HB3 :: 1.803 HG2 :: 1.892 HG3 :: 1.843 HD2 :: 3.972 HD3 :: 3.641 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.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 K 0.22 C Shift Assignments>> C :: 179.053 CA :: 60.946 CB :: 32.455 CG :: 26.482 CD :: 29.779 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 :: 8.756 HA :: 3.485 HB2 :: 1.861 HB3 :: 1.416 HG2 :: 1.662 HG3 :: 1.096 HD2 :: 1.803 HD3 :: 1.803 HE2 :: 3.012 HE3 :: 2.937 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 :: 121.229 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.42 C Shift Assignments>> C :: 176.848 CA :: 59.992 CB :: 31.626 CG :: 24.730 CD :: 29.437 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 :: 8.832 HA :: 3.742 HB2 :: 1.789 HB3 :: 1.713 HG2 :: 1.455 HG3 :: 1.237 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.865 HE3 :: 2.865 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.295 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.1 L 0.09 I 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 179.228 CA :: 57.412 CB :: 39.910 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 :: 7.151 HA :: 4.441 HB2 :: 2.583 HB3 :: 2.583 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 :: 120.467 Ave N Shift Values>> N :: 120.65(3.86) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 178.065 CA :: 64.997 CB :: 38.592 CG1 :: 26.862 CG2 :: 18.064 CD1 :: 14.753 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.121 HA :: 3.904 HB :: 1.758 HG12 :: 1.210 HG13 :: 0.057 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.483 HD12 :: 0.483 HD13 :: 0.483 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 :: 120.668 Ave N Shift Values>> N :: 121.46(4.28) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 176.961 CA :: 66.412 CB :: 38.115 CG1 :: 30.939 CG2 :: 18.879 CD1 :: 14.111 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 :: 8.286 HA :: 3.488 HB :: 1.682 HG12 :: 1.797 HG13 :: 0.712 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.844 Ave N Shift Values>> N :: 121.46(4.28) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.43 HN Overlap>> 1.N55 1.N55 C Shift Assignments>> C :: 178.047 CA :: 60.230 CB :: 32.718 CG :: 24.925 CD :: 29.487 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 :: 8.433 HA :: 3.968 HB2 :: 1.973 HB3 :: 1.973 HG2 :: 1.529 HG3 :: 1.434 HD2 :: 1.713 HD3 :: 1.713 HE2 :: 2.958 HE3 :: 2.958 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 :: 119.690 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.29 C 0.2 C Shift Assignments>> C :: 178.170 CA :: 62.465 CB :: 39.562 CD1 :: 133.327 CE1 :: 131.696 CZ :: 129.158 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 :: 7.582 HA :: 4.451 HB2 :: 3.705 HB3 :: 3.626 HD1 :: 7.343 HD2 :: 7.343 HE1 :: 7.039 HE2 :: 7.039 HZ :: 6.942 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.028 Ave N Shift Values>> N :: 120.45(4.18) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.22 R 0.16 K 0.03 C Shift Assignments>> C :: 178.597 CA :: 58.618 CB :: 41.722 CG :: 27.208 CD1 :: 27.865 CD2 :: 24.395 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 :: 8.615 HA :: 3.898 HB2 :: 2.198 HB3 :: 1.341 HG :: 2.461 HD11 :: 1.015 HD12 :: 1.015 HD13 :: 1.015 HD21 :: 1.141 HD22 :: 1.141 HD23 :: 1.141 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 :: 119.587 Ave N Shift Values>> N :: 121.86(3.9) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.19 K 0.16 E 0.13 I 0.08 R 0.04 C Shift Assignments>> C :: 177.951 CA :: 58.996 CB :: 27.940 CG :: 34.735 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.000 HA :: 4.146 HB2 :: 2.147 HB3 :: 1.956 HG2 :: 2.817 HG3 :: 2.205 HE21 :: 7.844 HE22 :: 6.977 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 :: 116.588 NE2 :: 108.749 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 K 0.08 I 0.07 Q 0.05 M 0.04 C Shift Assignments>> C :: 177.650 CA :: 57.986 CB :: 29.791 CG :: 36.242 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 :: 7.845 HA :: 3.908 HB2 :: 1.830 HB3 :: 1.404 HG2 :: 2.044 HG3 :: 1.604 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.930 Ave N Shift Values>> N :: 120.67(3.48) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 H 0.32 W 0.32 C Shift Assignments>> C :: 175.888 CA :: 57.517 CB :: 31.656 CE1 :: 137.899 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 :: 7.255 HA :: 4.602 HB2 :: 2.857 HB3 :: 1.973 HD2 :: 6.028 HE1 :: 7.563 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 :: 111.870 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.044 CA :: 44.570 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.705 HA2 :: 4.130 HA3 :: 3.309 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.753 Ave N Shift Values>> N :: 109.67(3.87) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.935 CA :: 57.721 CB :: 63.842 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.186 HA :: 4.311 HB2 :: 4.173 HB3 :: 3.556 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 :: 117.718 Ave N Shift Values>> N :: 116.28(3.52) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.11 L 0.05 D 0.05 K 0.01 C Shift Assignments>> C :: 178.944 CA :: 58.329 CB :: 39.877 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 :: 8.935 HA :: 4.324 HB2 :: 2.623 HB3 :: 2.623 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 :: 122.247 Ave N Shift Values>> N :: 120.65(3.86) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.732 CA :: 60.897 CB :: 61.437 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.493 HA :: 4.110 HB2 :: 3.833 HB3 :: 3.745 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 :: 114.709 Ave N Shift Values>> N :: 116.28(3.52) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 Y 0.16 F 0.15 C 0.15 C Shift Assignments>> C :: 177.592 CA :: 62.100 CB :: 39.259 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 :: 7.771 HA :: 3.945 HB2 :: 3.412 HB3 :: 2.898 HD1 :: 6.918 HD2 :: 6.918 HE1 :: 6.902 HE2 :: 6.902 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.003 Ave N Shift Values>> N :: 120.45(4.18) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.34 R 0.13 A 0.01 C Shift Assignments>> C :: 179.714 CA :: 57.760 CB :: 41.782 CG :: 27.285 CD1 :: 27.082 CD2 :: 22.250 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 :: 8.743 HA :: 3.662 HB2 :: 1.983 HB3 :: 0.997 HG :: 1.990 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 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 :: 120.673 Ave N Shift Values>> N :: 121.86(3.9) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 HN Overlap>> 1.E97 1.E97 1.E76 1.E106 1.E76 1.E106 C Shift Assignments>> C :: 181.865 CA :: 55.152 CB :: 18.058 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.459 HA :: 3.977 HB1 :: 1.433 HB2 :: 1.433 HB3 :: 1.433 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.302 Ave N Shift Values>> N :: 123.23(3.54) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 I 0.1 K 0.09 Q 0.06 M 0.02 HN Overlap>> 1.H58 1.H58 C Shift Assignments>> C :: 177.649 CA :: 58.948 CB :: 29.518 CG :: 35.941 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 :: 7.938 HA :: 3.764 HB2 :: 1.978 HB3 :: 1.724 HG2 :: 2.179 HG3 :: 1.736 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 :: 120.081 Ave N Shift Values>> N :: 120.67(3.48) 1.H41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.34 W 0.32 C 0.32 C Shift Assignments>> C :: 172.767 CA :: 57.133 CB :: 30.154 CD2 :: 122.581 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 :: 7.006 HA :: 4.331 HB2 :: 3.084 HB3 :: 2.112 HD2 :: 6.177 HE1 :: 7.269 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 :: 113.592 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.36 K 0.1 R 0.05 C Shift Assignments>> C :: 176.733 CA :: 57.434 CB :: 28.329 CG :: 24.930 CE :: 41.727 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 :: 7.724 HA :: 3.957 HB2 :: 1.983 HB3 :: 1.812 HG2 :: 1.235 HG3 :: 1.235 HD2 :: 1.587 HD3 :: 1.587 HE2 :: 2.862 HE3 :: 2.862 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.046 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 C 0.26 R 0.17 L 0.16 A 0.05 C Shift Assignments>> C :: 175.173 CA :: 53.294 CB :: 43.989 CG :: 25.746 CD1 :: 28.244 CD2 :: 23.417 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 :: 8.247 HA :: 4.497 HB2 :: 1.717 HB3 :: 1.433 HG :: 1.619 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.646 HD22 :: 0.646 HD23 :: 0.646 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 :: 115.869 Ave N Shift Values>> N :: 121.86(3.9) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.22 R 0.04 G 0.04 HN Overlap>> 1.I208 1.I208 C Shift Assignments>> C :: 176.717 CA :: 54.474 CB :: 42.814 CG :: 26.744 CD1 :: 25.063 CD2 :: 24.400 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 :: 7.313 HA :: 4.264 HB2 :: 1.523 HB3 :: 1.362 HG :: 1.255 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 118.806 Ave N Shift Values>> N :: 121.86(3.9) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.28 G 0.07 D 0.06 F 0.05 K 0.03 C 0.03 Y 0.03 C Shift Assignments>> C :: 172.764 CA :: 43.369 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.252 HA2 :: 4.174 HA3 :: 3.581 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.773 Ave N Shift Values>> N :: 109.67(3.87) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.21 F 0.1 Y 0.09 C 0.09 L 0.06 HN Overlap>> 1.S100 1.D205 1.S100 1.D205 C Shift Assignments>> C :: 177.491 CA :: 53.873 CB :: 39.078 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 :: 8.417 HA :: 4.482 HB2 :: 2.816 HB3 :: 2.684 HD21 :: 7.701 HD22 :: 6.939 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 :: 118.257 ND2 :: 113.657 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 176.177 CA :: 66.026 CB :: 37.828 CG1 :: 29.455 CG2 :: 17.163 CD1 :: 13.956 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 :: 8.850 HA :: 3.507 HB :: 1.821 HG12 :: 1.627 HG13 :: 0.996 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.075 Ave N Shift Values>> N :: 121.46(4.28) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.45 C Shift Assignments>> C :: 178.735 CA :: 59.432 CB :: 32.022 CG :: 25.291 CD :: 29.319 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.112 HA :: 3.895 HB2 :: 1.756 HB3 :: 1.683 HG2 :: 1.432 HG3 :: 1.277 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.873 HE3 :: 2.873 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 :: 119.114 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 Y 0.19 C 0.17 F 0.16 D 0.08 E 0.06 L 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 178.004 CA :: 55.523 CB :: 38.132 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 :: 7.554 HA :: 4.485 HB2 :: 2.815 HB3 :: 2.815 HD21 :: 7.734 HD22 :: 6.965 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.195 ND2 :: 112.558 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.977 CA :: 65.423 CB :: 31.941 CG1 :: 22.554 CG2 :: 22.005 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 :: 8.253 HA :: 3.637 HB :: 1.813 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 HG21 :: 0.614 HG22 :: 0.614 HG23 :: 0.614 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 :: 121.561 Ave N Shift Values>> N :: 121.14(4.54) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.44 I 0.02 C 0.02 C Shift Assignments>> C :: 177.765 CA :: 54.842 CB :: 18.098 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.387 HA :: 3.743 HB1 :: 1.301 HB2 :: 1.301 HB3 :: 1.301 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.313 Ave N Shift Values>> N :: 123.23(3.54) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 C Shift Assignments>> C :: 178.329 CA :: 58.358 CB :: 32.974 CG :: 24.998 CD :: 29.215 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 :: 7.128 HA :: 4.092 HB2 :: 1.918 HB3 :: 1.918 HG2 :: 1.610 HG3 :: 1.420 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.913 HE3 :: 2.859 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 :: 114.083 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.231 CA :: 61.939 CB :: 69.406 CG2 :: 21.626 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.329 HA :: 4.263 HB :: 4.282 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.138 Ave N Shift Values>> N :: 115.42(4.75) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> C :: 175.817 CA :: 51.423 CB :: 19.660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.751 HA :: 4.601 HB1 :: 1.231 HB2 :: 1.231 HB3 :: 1.231 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.819 Ave N Shift Values>> N :: 123.23(3.54) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.23 C 0.07 L 0.05 F 0.03 Y 0.03 HN Overlap>> 1.K27 1.K27 C Shift Assignments>> C :: 175.834 CA :: 51.230 CB :: 39.554 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 :: 8.463 HA :: 4.748 HB2 :: 3.043 HB3 :: 2.780 HD21 :: 7.554 HD22 :: 6.827 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 :: 119.668 ND2 :: 112.811 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.48 K 0.41 R 0.09 C Shift Assignments>> C :: 177.810 CA :: 59.923 CB :: 32.079 CG :: 25.556 CD :: 28.392 CE :: 41.649 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 3.784 HB2 :: 1.926 HB3 :: 1.610 HG2 :: 1.499 HG3 :: 1.319 HD2 :: 1.642 HD3 :: 1.487 HE2 :: 2.800 HE3 :: 2.645 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.1 L 0.07 D 0.06 K 0.01 N 0.01 C Shift Assignments>> C :: 178.823 CA :: 58.102 CB :: 39.981 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.270 HA :: 4.235 HB2 :: 2.587 HB3 :: 2.587 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.498 Ave N Shift Values>> N :: 120.65(3.86) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 H 0.24 W 0.12 HN Overlap>> 1.E40 1.E40 C Shift Assignments>> C :: 178.421 CA :: 59.057 CB :: 31.618 CD2 :: 116.451 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 :: 7.949 HA :: 4.376 HB2 :: 3.270 HB3 :: 3.243 HD2 :: 6.779 HE1 :: 6.947 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.43 R 0.01 C Shift Assignments>> C :: 178.143 CA :: 57.403 CB :: 41.240 CG :: 26.009 CD1 :: 26.478 CD2 :: 23.308 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 :: 7.807 HA :: 3.922 HB2 :: 1.975 HB3 :: 1.288 HG :: 1.919 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 HD21 :: 0.650 HD22 :: 0.650 HD23 :: 0.650 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 :: 118.444 Ave N Shift Values>> N :: 121.86(3.9) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.579 CA :: 67.116 CB :: 31.693 CG1 :: 23.354 CG2 :: 21.919 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 :: 8.616 HA :: 3.465 HB :: 2.207 HG11 :: 0.894 HG12 :: 0.894 HG13 :: 0.894 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 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 :: 121.000 Ave N Shift Values>> N :: 121.14(4.54) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.505 CA :: 66.614 CB :: 68.295 CG2 :: 21.959 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.776 HA :: 3.855 HB :: 4.200 HG21 :: 1.068 HG22 :: 1.068 HG23 :: 1.068 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 :: 115.684 Ave N Shift Values>> N :: 115.42(4.75) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.36 I 0.04 C 0.03 HN Overlap>> 1.K73 1.K73 C Shift Assignments>> C :: 178.049 CA :: 55.527 CB :: 18.407 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.151 HA :: 3.452 HB1 :: 1.066 HB2 :: 1.066 HB3 :: 1.066 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.119 Ave N Shift Values>> N :: 123.23(3.54) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.33 C 0.26 C Shift Assignments>> C :: 176.721 CA :: 62.669 CB :: 39.299 CD1 :: 131.932 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 :: 8.723 HA :: 4.115 HB2 :: 3.279 HB3 :: 2.982 HD1 :: 7.058 HD2 :: 7.058 HE1 :: 6.564 HE2 :: 6.564 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.975 Ave N Shift Values>> N :: 120.52(4.2) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.2 Y 0.18 F 0.12 N 0.1 M 0.06 I 0.03 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 178.773 CA :: 56.146 CB :: 37.299 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 :: 8.530 HA :: 4.544 HB2 :: 2.994 HB3 :: 2.916 HD21 :: 7.713 HD22 :: 5.877 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 :: 116.077 ND2 :: 110.023 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 W 0.33 H 0.32 C Shift Assignments>> C :: 178.546 CA :: 58.684 CB :: 30.768 CD2 :: 119.233 CE1 :: 137.937 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 :: 8.829 HA :: 4.533 HB2 :: 3.476 HB3 :: 3.360 HD2 :: 7.130 HE1 :: 7.266 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.047 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 L 0.3 C Shift Assignments>> C :: 177.050 CA :: 58.429 CB :: 39.341 CD1 :: 25.712 CD2 :: 22.415 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 :: 8.515 HA :: 2.870 HB2 :: 1.569 HB3 :: 0.839 HG :: 0.181(S) HD11 :: 0.232 HD12 :: 0.232 HD13 :: 0.232 HD21 :: -0.660(S) HD22 :: -0.660(S) HD23 :: -0.660(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 :: 123.934 Ave N Shift Values>> N :: 121.86(3.9) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.32 C 0.17 C Shift Assignments>> C :: 177.823 CA :: 62.486 CB :: 39.412 CD1 :: 132.328 CD2 :: 132.773 CE1 :: 131.619 CE2 :: 132.944 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 :: 6.855 HA :: 3.847 HB2 :: 3.167 HB3 :: 2.656 HD1 :: 7.221 HD2 :: 7.221 HE1 :: 6.656 HE2 :: 6.656 HZ :: 6.849 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 :: 113.040 Ave N Shift Values>> N :: 120.45(4.18) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 I 0.06 M 0.06 Q 0.04 K 0.04 C Shift Assignments>> C :: 178.480 CA :: 59.052 CB :: 30.425 CG :: 36.021 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 :: 8.307 HA :: 4.083 HB2 :: 2.146 HB3 :: 2.043 HG2 :: 2.343 HG3 :: 2.187 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 :: 119.750 Ave N Shift Values>> N :: 120.67(3.48) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.T181 1.T181 C Shift Assignments>> C :: 174.995 CA :: 62.422 CB :: 70.730 CG2 :: 21.329 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.805 HA :: 4.069 HB :: 3.912 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 105.994 Ave N Shift Values>> N :: 115.42(4.75) 1.K70 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 R 0.31 K 0.17 L 0.02 C Shift Assignments>> C :: 176.898 CA :: 56.738 CB :: 28.444 CG :: 24.930 CD :: 29.507 CE :: 42.012 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 :: 7.588 HA :: 2.794(S) HB2 :: 1.893 HB3 :: 1.839 HG2 :: 1.271 HG3 :: 1.209 HD2 :: 1.726 HD3 :: 1.601 HE2 :: 3.002 HE3 :: 3.002 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.530 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.R71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 L 0.23 R 0.22 G 0.21 K 0.02 C Shift Assignments>> C :: 174.512 CA :: 55.253 CB :: 28.354 CG :: 26.229 CD :: 44.183 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 :: 6.187(S) HA :: 4.163 HB2 :: 2.013 HB3 :: 0.789(S) HG2 :: 1.424 HG3 :: 1.386 HD2 :: 3.221 HD3 :: 2.999 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 :: 121.767 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.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.31 C 0.18 C Shift Assignments>> C :: 177.451 CA :: 56.066 CB :: 40.410 CD1 :: 130.918 CE1 :: 130.923 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 :: 7.047 HA :: 4.890 HB2 :: 3.426 HB3 :: 2.519 HD1 :: 6.928 HD2 :: 6.928 HE1 :: 6.559 HE2 :: 6.559 HZ :: 6.727 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 :: 117.559 Ave N Shift Values>> N :: 120.45(4.18) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 HN Overlap>> 1.A62 1.A62 C Shift Assignments>> C :: 177.088 CA :: 58.198 CB :: 32.295 CG :: 24.629 CD :: 28.787 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 :: 8.068 HA :: 3.751 HB2 :: 1.557 HB3 :: 1.411 HG2 :: 1.230 HG3 :: 1.230 HD2 :: 1.566 HD3 :: 1.566 HE2 :: 2.844 HE3 :: 2.844 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.121 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G74 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 :: 175.079 CA :: 45.367 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.886 HA2 :: 4.108 HA3 :: 3.862 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.017 Ave N Shift Values>> N :: 109.67(3.87) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.849 CA :: 62.161 CB :: 69.990 CG2 :: 21.766 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.787 HA :: 4.362 HB :: 4.345 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.749 Ave N Shift Values>> N :: 115.42(4.75) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.09 K 0.05 Q 0.05 I 0.03 HN Overlap>> 1.E97 1.S163 1.A39 1.E97 1.S163 1.A39 1.S152 1.S152 C Shift Assignments>> C :: 176.424 CA :: 56.833 CB :: 30.299 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 :: 8.413 HA :: 4.324 HB2 :: 2.025 HB3 :: 1.934 HG2 :: 2.241 HG3 :: 2.241 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 :: 122.404 Ave N Shift Values>> N :: 120.67(3.48) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.395 CA :: 58.188 CB :: 63.639 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.357 HA :: 4.421 HB2 :: 3.782 HB3 :: 3.782 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 :: 117.096 Ave N Shift Values>> N :: 116.28(3.52) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.K94 1.K94 C Shift Assignments>> C :: 176.233 CA :: 61.238 CB :: 38.821 CG1 :: 27.238 CG2 :: 17.579 CD1 :: 13.080 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 :: 8.107 HA :: 4.144 HB :: 1.813 HG12 :: 1.382 HG13 :: 1.108 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.545 Ave N Shift Values>> N :: 121.46(4.28) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q203 1.Q203 C Shift Assignments>> C :: 174.395 CA :: 58.262 CB :: 63.591 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.305 HA :: 4.330 HB2 :: 3.899 HB3 :: 3.750 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.892 Ave N Shift Values>> N :: 116.28(3.52) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.1 C Shift Assignments>> C :: 176.613 CA :: 56.241 CB :: 32.924 CG :: 24.514 CD :: 29.087 CE :: 41.972 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 :: 8.301 HA :: 4.282 HB2 :: 1.757 HB3 :: 1.661 HG2 :: 1.312 HG3 :: 1.312 HD2 :: 1.584 HD3 :: 1.584 HE2 :: 2.892 HE3 :: 2.892 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 :: 124.100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.K157 1.K156 1.K157 1.K156 C Shift Assignments>> C :: 176.319 CA :: 62.509 CB :: 32.660 CG1 :: 21.049 CG2 :: 20.817 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 :: 8.088 HA :: 4.005 HB :: 1.974 HG11 :: 0.815 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 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 :: 121.377 Ave N Shift Values>> N :: 121.14(4.54) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N91 1.N91 C Shift Assignments>> C :: 174.513 CA :: 58.371 CB :: 63.602 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.277 HA :: 4.353 HB2 :: 3.772 HB3 :: 3.772 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.150 Ave N Shift Values>> N :: 116.28(3.52) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.36 M 0.08 K 0.05 Q 0.03 I 0.03 C Shift Assignments>> C :: 176.305 CA :: 56.547 CB :: 30.210 CG :: 36.561 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 :: 8.322 HA :: 4.183 HB2 :: 1.966 HB3 :: 1.815 HG2 :: 2.179 HG3 :: 2.138 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 :: 122.959 Ave N Shift Values>> N :: 120.67(3.48) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 M 0.06 E 0.06 R 0.03 HN Overlap>> 1.E92 1.E92 C Shift Assignments>> C :: 176.097 CA :: 56.036 CB :: 29.392 CG :: 33.697 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 :: 8.261 HA :: 4.208 HB2 :: 1.986 HB3 :: 1.887 HG2 :: 2.272 HG3 :: 2.272 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 :: 121.219 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.069 CA :: 62.532 CB :: 32.505 CG1 :: 20.922 CG2 :: 21.106 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 :: 8.043 HA :: 3.950 HB :: 1.973 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 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 :: 121.594 Ave N Shift Values>> N :: 121.14(4.54) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.45 HN Overlap>> 1.R8 1.R8 C Shift Assignments>> CA :: 56.249 CB :: 33.076 CG :: 24.719 CD :: 29.273 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 :: 8.255 HA :: 4.212 HB2 :: 1.716 HB3 :: 1.647 HG2 :: 1.352 HG3 :: 1.315 HD2 :: 1.579 HD3 :: 1.579 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 :: 124.764 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.15 C 0.09 Y 0.07 F 0.07 L 0.04 M 0.01 C Shift Assignments>> CA :: 53.171 CB :: 38.600 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 :: 8.349 HA :: 4.598 HB2 :: 2.725 HB3 :: 2.647 HD21 :: 7.544 HD22 :: 6.840 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 :: 120.324 ND2 :: 113.071 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 HN Overlap>> 1.N158 1.K184 1.N158 1.K184 C Shift Assignments>> C :: 175.835 CA :: 62.328 CB :: 32.739 CG1 :: 20.597 CG2 :: 20.500 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 :: 7.983 HA :: 3.991 HB :: 1.982 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.681 Ave N Shift Values>> N :: 121.14(4.54) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.11 C Shift Assignments>> C :: 176.156 CA :: 56.019 CB :: 32.722 CG :: 24.605 CD :: 28.902 CE :: 41.859 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 :: 8.285 HA :: 4.208 HB2 :: 1.717 HB3 :: 1.650 HG2 :: 1.331 HG3 :: 1.284 HD2 :: 1.524 HD3 :: 1.524 HE2 :: 2.857 HE3 :: 2.857 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 :: 125.119 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.27 R 0.03 A 0.01 G 0.01 HN Overlap>> 1.A3 1.A4 1.A3 1.A4 C Shift Assignments>> C :: 177.020 CA :: 55.141 CB :: 42.344 CG :: 27.067 CD1 :: 24.902 CD2 :: 23.491 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 :: 8.211 HA :: 4.222 HB2 :: 1.531 HB3 :: 1.465 HG :: 1.506 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 123.947 Ave N Shift Values>> N :: 121.86(3.9) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.16 C 0.09 Y 0.07 F 0.07 L 0.04 HN Overlap>> 1.K127 1.S82 1.K127 1.S82 C Shift Assignments>> C :: 175.009 CA :: 53.242 CB :: 38.719 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 :: 8.363 HA :: 4.569 HB2 :: 2.717 HB3 :: 2.648 HD21 :: 7.537 HD22 :: 6.833 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 :: 119.152 ND2 :: 112.829 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.1 K 0.05 Q 0.05 I 0.02 HN Overlap>> 1.Q84 1.Q84 C Shift Assignments>> C :: 175.862 CA :: 56.523 CB :: 30.357 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 :: 8.279 HA :: 4.483 HB2 :: 1.916 HB3 :: 1.794 HG2 :: 2.136 HG3 :: 2.136 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 :: 121.293 Ave N Shift Values>> N :: 120.67(3.48) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.11 F 0.1 K 0.08 Y 0.07 C 0.05 HN Overlap>> 1.E102 1.E102 1.I149 1.D129 1.I149 1.D129 C Shift Assignments>> C :: 175.707 CA :: 54.352 CB :: 40.993 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 :: 8.318 HA :: 4.486 HB2 :: 2.572 HB3 :: 2.485 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 :: 121.794 Ave N Shift Values>> N :: 120.65(3.86) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 C 0.37 A 0.01 HN Overlap>> 1.I78 1.I78 C Shift Assignments>> C :: 174.244 CA :: 54.140 CB :: 32.449 CG :: 24.341 CD :: 28.820 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 :: 8.045 HA :: 4.499 HB2 :: 1.711 HB3 :: 1.616 HG2 :: 1.371 HG3 :: 1.337 HD2 :: 1.658 HD3 :: 1.591 HE2 :: 2.879 HE3 :: 2.879 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.508 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.864 CA :: 63.029 CB :: 32.123 CG :: 27.310 CD :: 50.659 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 :: 4.314 HB2 :: 2.211 HB3 :: 1.777 HG2 :: 1.924 HG3 :: 1.924 HD2 :: 3.715 HD3 :: 3.515 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.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.12 C Shift Assignments>> C :: 176.683 CA :: 56.389 CB :: 32.944 CG :: 24.602 CD :: 28.835 CE :: 42.003 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 :: 8.399 HA :: 4.176 HB2 :: 1.700 HB3 :: 1.700 HG2 :: 1.395 HG3 :: 1.314 HD2 :: 1.587 HD3 :: 1.587 HE2 :: 2.881 HE3 :: 2.881 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.145 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.31 M 0.12 Q 0.09 K 0.07 I 0.01 HN Overlap>> 1.S163 1.A39 1.E76 1.E106 1.S163 1.A39 1.E76 1.E106 C Shift Assignments>> C :: 176.401 CA :: 56.358 CB :: 30.371 CG :: 35.907 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 :: 8.425 HA :: 4.260 HB2 :: 1.942 HB3 :: 1.862 HG2 :: 2.130 HG3 :: 2.074 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 :: 122.348 Ave N Shift Values>> N :: 120.67(3.48) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.K201 1.K201 C Shift Assignments>> C :: 174.258 CA :: 61.722 CB :: 69.738 CG2 :: 21.579 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 :: 8.201 HA :: 4.225 HB :: 4.056 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 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 :: 116.532 Ave N Shift Values>> N :: 115.42(4.75) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.38 R 0.11 HN Overlap>> 1.R173 1.R173 C Shift Assignments>> C :: 176.388 CA :: 56.009 CB :: 33.176 CG :: 24.499 CD :: 28.869 CE :: 41.968 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 :: 8.374 HA :: 4.298 HB2 :: 1.749 HB3 :: 1.665 HG2 :: 1.315 HG3 :: 1.315 HD2 :: 1.581 HD3 :: 1.581 HE2 :: 2.932 HE3 :: 2.932 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 :: 124.585 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N46 1.N46 1.D205 1.D205 C Shift Assignments>> C :: 174.572 CA :: 58.406 CB :: 63.628 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.388 HA :: 4.337 HB2 :: 3.800 HB3 :: 3.731 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 :: 118.193 Ave N Shift Values>> N :: 116.28(3.52) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.09 K 0.06 Q 0.06 I 0.02 C Shift Assignments>> C :: 176.343 CA :: 56.575 CB :: 30.203 CG :: 36.202 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 :: 8.505 HA :: 4.220 HB2 :: 1.982 HB3 :: 1.828 HG2 :: 2.180 HG3 :: 2.180 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 :: 122.897 Ave N Shift Values>> N :: 120.67(3.48) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.1 Q 0.06 K 0.06 I 0.02 HN Overlap>> 1.D93 1.D93 C Shift Assignments>> C :: 176.442 CA :: 56.525 CB :: 30.320 CG :: 36.225 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 :: 8.333 HA :: 4.225 HB2 :: 1.964 HB3 :: 1.837 HG2 :: 2.162 HG3 :: 2.162 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 :: 121.754 Ave N Shift Values>> N :: 120.67(3.48) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.241 CA :: 61.767 CB :: 69.687 CG2 :: 21.418 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 :: 8.170 HA :: 4.237 HB :: 4.081 HG21 :: 1.099 HG22 :: 1.099 HG23 :: 1.099 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 :: 116.248 Ave N Shift Values>> N :: 115.42(4.75) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.26 R 0.03 A 0.02 G 0.01 HN Overlap>> 1.E193 1.E193 C Shift Assignments>> C :: 176.763 CA :: 54.911 CB :: 42.345 CG :: 26.985 CD1 :: 24.967 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 :: 8.278 HA :: 4.277 HB2 :: 1.548 HB3 :: 1.496 HG :: 1.502 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.762 HD22 :: 0.762 HD23 :: 0.762 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 :: 125.387 Ave N Shift Values>> N :: 121.86(3.9) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.11 N 0.1 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 176.162 CA :: 54.213 CB :: 41.252 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 :: 8.307 HA :: 4.532 HB2 :: 2.641 HB3 :: 2.512 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 :: 122.072 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>> E 0.42 C 0.36 M 0.11 K 0.03 Q 0.03 I 0.02 HN Overlap>> 1.E97 1.A39 1.E97 1.A39 C Shift Assignments>> CA :: 56.423 CB :: 30.525 CG :: 36.549 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 :: 8.388 HA :: 4.264 HB2 :: 2.065 HB3 :: 1.873 HG2 :: 2.179 HG3 :: 2.147 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 :: 122.273 Ave N Shift Values>> N :: 120.67(3.48) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 170.999 CA :: 44.334 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.229 HA2 :: 4.048 HA3 :: 3.933 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.903 Ave N Shift Values>> N :: 109.67(3.87) 1.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 P 0.44 C Shift Assignments>> CA :: 61.281 CB :: 30.610 CG :: 27.126 CD :: 49.777 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 :: 4.552 HB2 :: 2.197 HB3 :: 1.704 HG2 :: 1.890 HG3 :: 1.858 HD2 :: 3.496 HD3 :: 3.461 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.P109 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>> CA :: 62.600 CB :: 32.449 CG :: 27.072 CD :: 50.092 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 :: 4.044 HB2 :: 2.264 HB3 :: 1.515 HG2 :: 1.817 HG3 :: 1.817 HD2 :: 3.671 HD3 :: 3.451 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.K110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.35 K 0.3 R 0.29 L 0.03 C Shift Assignments>> C :: 173.929 CA :: 54.551 CB :: 29.681 CG :: 24.359 CD :: 28.114 CE :: 41.832 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 3.920 HB2 :: 1.142 HB3 :: -0.199(S) HG2 :: 0.503(S) HG3 :: 0.503 HD2 :: 1.021 HD3 :: 0.877 HE2 :: 2.644 HE3 :: 2.644 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.31 G 0.02 HN Overlap>> 1.L180 1.L180 C Shift Assignments>> C :: 173.267 CA :: 55.953 CB :: 42.139 CE1 :: 117.440 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 :: 6.769 HA :: 5.477 HB2 :: 2.945 HB3 :: 2.875 HD1 :: 6.886 HD2 :: 6.886 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 :: 111.687 Ave N Shift Values>> N :: 120.52(4.2) 1.T112 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 :: 173.122 CA :: 60.737 CB :: 71.330 CG2 :: 21.407 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 :: 8.729 HA :: 4.294 HB :: 4.039 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.341 Ave N Shift Values>> N :: 115.42(4.75) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.44 K 0.03 G 0.02 C Shift Assignments>> C :: 175.139 CA :: 55.223 CB :: 36.278 CG :: 27.814 CD :: 28.485 CE :: 42.496 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.058 HA :: 5.369 HB2 :: 1.973 HB3 :: 1.517 HG2 :: 1.396 HG3 :: 1.007 HD2 :: 1.702 HD3 :: 1.390 HE2 :: 2.958 HE3 :: 2.537 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 :: 125.527 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.722 CA :: 56.720 CB :: 64.476 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.027 HA :: 4.803 HB2 :: 3.766 HB3 :: 3.672 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 :: 122.768 Ave N Shift Values>> N :: 116.28(3.52) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 175.631 CA :: 64.974 CB :: 31.781 CG1 :: 21.852 CG2 :: 21.284 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 :: 9.187 HA :: 3.762 HB :: 1.983 HG11 :: 1.000 HG12 :: 1.000 HG13 :: 1.000 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.753 Ave N Shift Values>> N :: 121.14(4.54) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.38 A 0.17 G 0.02 C Shift Assignments>> C :: 177.250 CA :: 55.579 CB :: 42.386 CD1 :: 21.682 CD2 :: 25.567 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.094 HA :: 4.359 HB2 :: 1.553 HB3 :: 1.478 HG :: 1.243 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 HD21 :: 0.729 HD22 :: 0.729 HD23 :: 0.729 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.999 Ave N Shift Values>> N :: 121.86(3.9) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.43 R 0.06 G 0.01 C Shift Assignments>> C :: 174.683 CA :: 55.803 CB :: 35.888 CG :: 24.312 CD :: 29.326 CE :: 42.081 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 :: 8.033 HA :: 4.386 HB2 :: 1.706 HB3 :: 1.634 HG2 :: 1.395 HG3 :: 1.379 HD2 :: 1.571 HD3 :: 1.571 HE2 :: 2.867 HE3 :: 2.867 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 :: 120.979 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 177.353 CA :: 57.528 CB :: 33.147 CG :: 25.180 CD :: 29.418 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 :: 8.661 HA :: 4.050 HB2 :: 1.782 HB3 :: 1.714 HG2 :: 1.481 HG3 :: 1.442 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.939 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 :: 125.921 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.28 G 0.24 F 0.04 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 173.611 CA :: 43.969 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.845 HA2 :: 4.000 HA3 :: 3.504 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.742 Ave N Shift Values>> N :: 109.67(3.87) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.21 L 0.14 F 0.13 Y 0.11 C 0.08 K 0.01 HN Overlap>> 1.N211 1.N211 C Shift Assignments>> C :: 178.407 CA :: 54.570 CB :: 40.008 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.207 HA :: 4.140 HB2 :: 2.959 HB3 :: 2.584 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.384 Ave N Shift Values>> N :: 120.65(3.86) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.08 C Shift Assignments>> C :: 174.885 CA :: 57.958 CB :: 30.556 CG :: 24.925 CD :: 29.332 CE :: 41.628 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 :: 8.769 HA :: 3.531 HB2 :: 2.049 HB3 :: 2.049 HG2 :: 1.387 HG3 :: 1.323 HD2 :: 1.649 HD3 :: 1.649 HE2 :: 2.704 HE3 :: 2.659 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 :: 115.876 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.691 CA :: 64.567 CB :: 72.041 CG2 :: 20.146 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 :: 8.948 HA :: 4.382 HB :: 3.542 HG21 :: 1.046 HG22 :: 1.046 HG23 :: 1.046 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.658 Ave N Shift Values>> N :: 115.42(4.75) 1.N123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.38 D 0.26 L 0.09 F 0.08 Y 0.08 C 0.07 C Shift Assignments>> C :: 171.668 CA :: 53.526 CB :: 39.577 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 :: 9.735 HA :: 4.809 HB2 :: 2.906 HB3 :: 2.245 HD21 :: 9.180(S) HD22 :: 6.986 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 :: 125.095 ND2 :: 120.073 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.28 L 0.13 F 0.09 Y 0.08 C 0.07 K 0.01 HN Overlap>> 1.S152 1.S152 C Shift Assignments>> CA :: 53.744 CB :: 40.051 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 :: 8.365 HA :: 5.167 HB2 :: 2.837 HB3 :: 2.579 HD1 :: 6.897 HD2 :: 6.897 HE1 :: 6.955 HE2 :: 6.955 HZ :: 7.000 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 :: 122.574 Ave N Shift Values>> N :: 120.45(4.18) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.46 C 0.36 K 0.06 R 0.03 Q 0.02 I 0.02 C Shift Assignments>> C :: 174.224 CA :: 62.401 CB :: 32.679 CG :: 28.264 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 :: 4.533 HB2 :: 1.855 HB3 :: 1.537 HG2 :: 1.956 HG3 :: 1.585 HD2 :: 4.110 HD3 :: 3.972 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.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.22 Q 0.19 K 0.12 E 0.04 H 0.03 R 0.03 N 0.02 W 0.01 C Shift Assignments>> C :: 175.613 CA :: 53.264 CB :: 34.381 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.076 HA :: 4.425 HB2 :: 1.654 HB3 :: 1.584 HG2 :: 1.422 HG3 :: 1.317 HE2 :: 2.953 HE3 :: 2.953 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 :: 121.336 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.42 HN Overlap>> 1.N91 1.N91 C Shift Assignments>> C :: 177.679 CA :: 59.120 CB :: 31.928 CG :: 25.432 CD :: 29.840 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 :: 8.408 HA :: 3.647 HB2 :: 1.598 HB3 :: 1.571 HG2 :: 1.443 HG3 :: 1.157 HD2 :: 1.594 HD3 :: 1.594 HE2 :: 2.847 HE3 :: 2.847 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 :: 119.091 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.005 CA :: 44.907 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.144 HA2 :: 4.364 HA3 :: 3.219 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.778 Ave N Shift Values>> N :: 109.67(3.87) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.14 F 0.1 Y 0.07 N 0.07 C 0.05 R 0.02 HN Overlap>> 1.D93 1.I149 1.D93 1.I149 C Shift Assignments>> C :: 174.881 CA :: 54.757 CB :: 41.324 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 :: 8.227 HA :: 4.534 HB2 :: 2.627 HB3 :: 2.415 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 :: 121.843 Ave N Shift Values>> N :: 120.65(3.86) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.230 CA :: 62.224 CB :: 31.835 CG1 :: 21.845 CG2 :: 21.454 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 :: 8.523 HA :: 4.064 HB :: 1.785 HG11 :: 0.729 HG12 :: 0.729 HG13 :: 0.729 HG21 :: 0.263 HG22 :: 0.263 HG23 :: 0.263 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 :: 120.805 Ave N Shift Values>> N :: 121.14(4.54) 1.V131 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 V 0.07 A 0.03 C Shift Assignments>> C :: 173.349 CA :: 58.029 CB :: 33.603 CG1 :: 22.694 CG2 :: 17.789 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 :: 7.917 HA :: 4.669 HB :: 1.669 HG11 :: 0.583 HG12 :: 0.583 HG13 :: 0.583 HG21 :: -0.194(S) HG22 :: -0.194(S) HG23 :: -0.194(S) 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 :: 117.190 Ave N Shift Values>> N :: 121.14(4.54) 1.H132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 H 0.39 W 0.1 Y 0.01 C Shift Assignments>> C :: 176.732 CA :: 54.066 CB :: 33.419 CD2 :: 117.257 CE1 :: 137.874 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 :: 7.273 HA :: 5.153 HB2 :: 2.424 HB3 :: 2.235 HD2 :: 6.172 HE1 :: 7.478 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 :: 117.122 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 C 0.18 M 0.17 Q 0.17 R 0.07 H 0.06 W 0.05 V 0.03 E 0.03 C Shift Assignments>> C :: 174.963 CA :: 57.148 CB :: 33.307 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.484 HA :: 5.919 HB2 :: 2.948 HB3 :: 2.869 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 :: 117.783 Ave N Shift Values>> N :: 120.17(4.64) 1.W134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.38 H 0.06 C Shift Assignments>> C :: 176.348 CA :: 55.317 CB :: 32.792 CE3 :: 120.993 CZ3 :: 122.665 CH2 :: 123.472 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 :: 8.619 HA :: 5.746 HB2 :: 3.295 HB3 :: 3.120 HD1 :: 6.940 HE1 :: 10.311 HE3 :: 7.597 HZ2 :: 7.369 HZ3 :: 6.948 HH2 :: 6.728 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 :: 124.002 NE1 :: 129.101 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.26 G 0.08 F 0.07 C 0.06 D 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 173.202 CA :: 56.913 CB :: 43.671 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.775 HA :: 6.111 HB2 :: 2.879 HB3 :: 2.711 HD1 :: 6.738 HD2 :: 6.738 HE1 :: 6.533 HE2 :: 6.533 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.275 Ave N Shift Values>> N :: 120.52(4.2) 1.T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.079 CA :: 63.308 CB :: 71.886 CG2 :: 22.406 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 :: 8.497 HA :: 4.223 HB :: 3.749 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 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 :: 115.731 Ave N Shift Values>> N :: 115.42(4.75) 1.G137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.770 CA :: 44.817 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.265 HA2 :: 4.282 HA3 :: 2.032(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.977 Ave N Shift Values>> N :: 109.67(3.87) 1.T138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 T 0.48 C Shift Assignments>> C :: 175.219 CA :: 59.286 CB :: 72.202 CG2 :: 22.522 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 :: 9.324 HA :: 5.362 HB :: 3.899 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 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 :: 117.621 Ave N Shift Values>> N :: 115.42(4.75) 1.L139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.16 A 0.05 G 0.03 C Shift Assignments>> C :: 180.386 CA :: 53.638 CB :: 42.553 CD1 :: 25.450 CD2 :: 23.236 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 :: 8.574 HA :: 4.762 HB2 :: 2.096 HB3 :: 1.857 HG :: 1.825 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 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 :: 119.789 Ave N Shift Values>> N :: 121.86(3.9) 1.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.23 E 0.07 R 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 176.536 CA :: 58.622 CB :: 28.278 CG :: 34.017 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.614 HA :: 4.000 HB2 :: 2.120 HB3 :: 2.099 HG2 :: 2.468 HG3 :: 2.430 HE21 :: 7.400 HE22 :: 7.087 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 :: 121.655 NE2 :: 113.726 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.29 L 0.1 F 0.08 C 0.07 Y 0.06 C Shift Assignments>> C :: 177.008 CA :: 53.256 CB :: 39.788 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 :: 7.647 HA :: 4.424 HB2 :: 3.022 HB3 :: 2.517 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 :: 115.689 Ave N Shift Values>> N :: 120.65(3.86) 1.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.511 CA :: 44.595 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.093 HA2 :: 4.284 HA3 :: 3.483 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.183 Ave N Shift Values>> N :: 109.67(3.87) 1.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 174.160 CA :: 64.406 CB :: 69.153 CG2 :: 20.602 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 :: 8.081 HA :: 3.809 HB :: 3.999 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 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 :: 118.312 Ave N Shift Values>> N :: 115.42(4.75) 1.V144 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 :: 176.269 CA :: 62.011 CB :: 31.809 CG1 :: 21.090 CG2 :: 21.055 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 :: 8.765 HA :: 4.229 HB :: 1.906 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.672 HG22 :: 0.672 HG23 :: 0.672 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.061 Ave N Shift Values>> N :: 121.14(4.54) 1.F145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.29 C 0.2 C Shift Assignments>> C :: 175.095 CA :: 56.386 CB :: 40.164 CD1 :: 130.633 CE1 :: 130.708 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 :: 8.109 HA :: 4.963 HB2 :: 3.457 HB3 :: 2.550 HD1 :: 6.968 HD2 :: 6.968 HE1 :: 7.277 HE2 :: 7.277 HZ :: 7.127 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 :: 125.694 Ave N Shift Values>> N :: 120.45(4.18) 1.D146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.29 D 0.1 G 0.09 C 0.05 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 173.268 CA :: 54.998 CB :: 43.675 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 :: 6.636 HA :: 4.816 HB2 :: 3.287 HB3 :: 2.275 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.282 Ave N Shift Values>> N :: 120.65(3.86) 1.T147 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 T 0.08 A 0.05 S 0.04 HN Overlap>> 1.W196 1.L179 1.W196 1.L179 C Shift Assignments>> C :: 171.040 CA :: 59.763 CB :: 68.875 CG2 :: 17.753(S) 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 :: 8.026 HA :: 4.315 HB :: 4.289 HG1 :: 5.368 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.689 Ave N Shift Values>> N :: 115.42(4.75) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.11 C 0.09 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 174.652 CA :: 51.339 CB :: 38.456 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 :: 7.613 HA :: 4.933 HB2 :: 3.638 HB3 :: 2.645 HD21 :: 8.219 HD22 :: 6.976 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 :: 123.138 ND2 :: 109.395 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> 1.D93 1.D93 1.D129 1.D129 C Shift Assignments>> C :: 176.376 CA :: 61.106 CB :: 38.172 CG1 :: 27.848 CG2 :: 17.102 CD1 :: 13.183 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 :: 8.218 HA :: 3.751 HB :: 1.496 HG12 :: 1.532 HG13 :: 0.704 HG21 :: 0.477 HG22 :: 0.477 HG23 :: 0.477 HD11 :: 0.545 HD12 :: 0.545 HD13 :: 0.545 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.836 Ave N Shift Values>> N :: 121.46(4.28) 1.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.29 C 0.21 M 0.09 R 0.04 E 0.02 C Shift Assignments>> C :: 175.780 CA :: 54.808 CB :: 29.302 CG :: 33.318 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 :: 4.274 HB2 :: 1.910 HB3 :: 1.647 HG2 :: 2.208 HG3 :: 2.191 HE21 :: 7.411 HE22 :: 6.845 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 :: 126.062 NE2 :: 112.471 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.658 CB :: 69.594 CG2 :: 21.407 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.171 HB :: 4.182 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.S152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S163 1.E76 1.F124 1.S163 1.E76 1.F124 C Shift Assignments>> CA :: 58.207 CB :: 63.575 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.403 HA :: 4.327 HB2 :: 3.772 HB3 :: 3.750 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.481 Ave N Shift Values>> N :: 116.28(3.52) 1.A153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.66 M 0.29 C 0.02 C Shift Assignments>> C :: 178.654 CA :: 54.009 CB :: 18.609 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.036 HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.K154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.19 G 0.01 C Shift Assignments>> C :: 177.035 CA :: 57.166 CB :: 32.611 CG :: 24.916 CD :: 28.915 CE :: 42.676 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 :: 8.008 HA :: 4.085 HB2 :: 1.721 HG2 :: 1.317 HG3 :: 1.278 HD2 :: 1.583 HD3 :: 1.583 HE2 :: 2.883 HE3 :: 2.883 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.501 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.41 R 0.1 C Shift Assignments>> C :: 177.110 CA :: 56.525 CB :: 32.938 CG :: 24.678 CD :: 28.954 CE :: 41.877 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 :: 7.683 HA :: 4.160 HB2 :: 1.699 HB3 :: 1.654 HG2 :: 1.317 HG3 :: 1.317 HD2 :: 1.579 HD3 :: 1.579 HE2 :: 2.874 HE3 :: 2.874 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 :: 119.429 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.48 HN Overlap>> 1.K157 1.K157 1.V81 1.V81 C Shift Assignments>> C :: 177.193 CA :: 57.232 CB :: 32.674 CG :: 24.926 CD :: 28.959 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.170 HA :: 4.098 HB3 :: 1.662 HG2 :: 1.347 HG3 :: 1.347 HD2 :: 1.583 HD3 :: 1.583 HE2 :: 2.879 HE3 :: 2.879 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 :: 121.417 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.44 R 0.07 HN Overlap>> 1.K156 1.V81 1.K156 1.V81 C Shift Assignments>> C :: 177.169 CA :: 57.296 CB :: 33.014 CG :: 24.762 CD :: 28.853 CE :: 41.644 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 :: 8.170 HA :: 4.048 HB2 :: 1.694 HB3 :: 1.694 HG2 :: 1.304 HG3 :: 1.304 HD2 :: 1.516 HD3 :: 1.516 HE2 :: 2.808 HE3 :: 2.808 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 :: 121.389 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.15 C 0.09 Y 0.06 F 0.06 L 0.03 HN Overlap>> 1.K184 1.V88 1.K184 1.V88 C Shift Assignments>> C :: 174.539 CA :: 53.020 CB :: 38.601 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 :: 7.988 HA :: 4.685 HB2 :: 2.855 HB3 :: 2.699 HD21 :: 7.574 HD22 :: 6.906 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 :: 120.641 ND2 :: 112.829 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.07 C 0.02 L 0.01 C Shift Assignments>> C :: 176.939 CA :: 52.735 CB :: 19.800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.744 HA :: 4.397 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.850 Ave N Shift Values>> N :: 123.23(3.54) 1.K160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 C 0.37 A 0.01 C Shift Assignments>> C :: 173.267 CA :: 53.532 CB :: 33.795 CG :: 24.396 CD :: 28.961 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 :: 8.437 HA :: 4.802 HB2 :: 1.776 HB3 :: 1.655 HG2 :: 1.464 HG3 :: 1.437 HD2 :: 1.644 HD3 :: 1.624 HE2 :: 2.958 HE3 :: 2.906 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 :: 121.632 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P161 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.5 C 0.49 C Shift Assignments>> C :: 175.588 CA :: 61.697 CB :: 30.747 CG :: 26.285 CD :: 49.902 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 :: 3.149(S) HB2 :: 1.147 HB3 :: 0.458(S) HG2 :: 1.513 HG3 :: 0.975 HD2 :: 3.401 HD3 :: 3.401 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.L162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.29 L 0.22 G 0.06 A 0.03 C Shift Assignments>> C :: 175.761 CA :: 55.396 CB :: 43.248 CG :: 28.209 CD1 :: 27.233 CD2 :: 22.749 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 :: 7.957 HA :: 4.384 HB2 :: 1.944 HB3 :: 1.872 HG :: 1.499 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 1.047 HD22 :: 1.047 HD23 :: 1.047 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 :: 123.313 Ave N Shift Values>> N :: 121.86(3.9) 1.S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E97 1.E97 1.E76 1.S152 1.E76 1.S152 C Shift Assignments>> C :: 174.077 CA :: 55.120 CB :: 64.924 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.427 HA :: 5.697 HB2 :: 3.185 HB3 :: 3.107 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 :: 122.451 Ave N Shift Values>> N :: 116.28(3.52) 1.F164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.19 Y 0.18 N 0.13 L 0.11 C 0.1 I 0.02 C Shift Assignments>> C :: 172.147 CA :: 55.663 CB :: 39.722 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 :: 7.625 HA :: 4.556 HB2 :: 3.053 HB3 :: 2.500 HD1 :: 6.521 HD2 :: 6.521 HE1 :: 6.550 HE2 :: 6.550 HZ :: 6.243 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.333 Ave N Shift Values>> N :: 120.45(4.18) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.38 R 0.07 C Shift Assignments>> C :: 175.478 CA :: 55.500 CB :: 33.646 CG :: 25.042 CD :: 29.545 CE :: 41.576 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 :: 8.268 HA :: 4.633 HB2 :: 1.448 HB3 :: 1.342 HG2 :: 1.247 HG3 :: 1.150 HD2 :: 1.532 HD3 :: 1.532 HE2 :: 2.847 HE3 :: 2.847 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 :: 120.479 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.19 C Shift Assignments>> C :: 175.361 CA :: 61.885 CB :: 33.664 CG1 :: 25.003 CG2 :: 21.543 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 :: 8.896 HA :: 4.059 HB :: 1.765 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 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 :: 126.320 Ave N Shift Values>> N :: 121.14(4.54) 1.G167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 174.548 CA :: 45.963 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.558 HA2 :: 3.852 HA3 :: 3.621 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.651 Ave N Shift Values>> N :: 109.67(3.87) 1.V168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.33 C Shift Assignments>> C :: 176.322 CA :: 59.631 CB :: 32.066 CG1 :: 20.835 CG2 :: 18.919 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 :: 8.238 HA :: 4.551 HB :: 2.396 HG11 :: 0.663 HG12 :: 0.663 HG13 :: 0.663 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.068 Ave N Shift Values>> N :: 121.14(4.54) 1.G169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 176.185 CA :: 46.331 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.892 HA2 :: 3.885 HA3 :: 3.732 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.620 Ave N Shift Values>> N :: 109.67(3.87) 1.K170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.47 C Shift Assignments>> C :: 176.131 CA :: 56.360 CB :: 31.677 CG :: 24.898 CD :: 27.707 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.498 HA :: 3.888 HB2 :: 1.682 HB3 :: 1.556 HG2 :: 1.459 HG3 :: 1.310 HD2 :: 1.529 HD3 :: 1.529 HE2 :: 2.898 HE3 :: 2.801 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.692 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V171 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 A 0.07 I 0.01 C Shift Assignments>> C :: 174.982 CA :: 57.689 CB :: 35.453 CG1 :: 19.443 CG2 :: 17.231 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.433 HA :: 3.935 HB :: 1.253 HG11 :: -1.091(S) HG12 :: -1.091(S) HG13 :: -1.091(S) HG21 :: -0.166(S) HG22 :: -0.166(S) HG23 :: -0.166(S) 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 :: 107.471 Ave N Shift Values>> N :: 121.14(4.54) 1.I172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.660 CA :: 61.816 CB :: 38.245 CG2 :: 17.765 CD1 :: 15.316 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.312 HA :: 3.695 HB :: 2.050 HG12 :: 1.215 HG13 :: 0.944 HG21 :: 0.156 HG22 :: 0.156 HG23 :: 0.156 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 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 :: 110.913 Ave N Shift Values>> N :: 121.46(4.28) 1.R173 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 K 0.28 R 0.23 G 0.01 L 0.01 HN Overlap>> 1.K99 1.K99 C Shift Assignments>> C :: 178.294 CA :: 59.633 CB :: 29.749 CG :: 25.967 CD :: 42.302 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 :: 8.447 HA :: 3.851 HB2 :: 1.509 HB3 :: 1.158 HG2 :: 0.761 HG3 :: 0.328(S) HD2 :: 2.515 HD3 :: 1.657(S) HE :: 6.809 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 :: 124.545 NE :: 85.179 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.G174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 P 0.11 C 0.1 A 0.07 L 0.03 N 0.02 C Shift Assignments>> C :: 173.074 CA :: 47.834 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.377 HA2 :: 3.873 HA3 :: 3.665 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.262 Ave N Shift Values>> N :: 109.67(3.87) 1.W175 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.99 C Shift Assignments>> C :: 176.174 CA :: 58.240 CB :: 30.008 CD1 :: 120.854 CE3 :: 120.155 CZ2 :: 111.511 CZ3 :: 121.966 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 :: 6.878 HA :: 4.104 HB2 :: 2.892 HB3 :: 2.393 HD1 :: 6.666 HE1 :: 6.820(S) HE3 :: 6.565 HZ2 :: 6.546 HZ3 :: 6.404 HH2 :: 5.600(S) 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 :: 118.828 NE1 :: 118.500(S) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.17 F 0.17 Y 0.13 D 0.09 C 0.07 R 0.06 I 0.02 C Shift Assignments>> C :: 178.111 CA :: 57.304 CB :: 41.724 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 :: 7.601 HA :: 4.261 HB2 :: 2.485 HB3 :: 2.338 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 :: 120.716 Ave N Shift Values>> N :: 120.65(3.86) 1.E177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.12 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 180.190 CA :: 58.398 CB :: 29.302 CG :: 36.420 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 :: 8.117 HA :: 3.916 HB2 :: 2.206 HB3 :: 1.667 HG2 :: 2.003 HG3 :: 2.003 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 :: 110.928 Ave N Shift Values>> N :: 120.67(3.48) 1.A178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.11 M 0.1 C 0.09 V 0.02 T 0.01 C Shift Assignments>> C :: 182.410 CA :: 54.808 CB :: 20.433 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.293 HA :: 3.949 HB1 :: 0.973 HB2 :: 0.973 HB3 :: 0.973 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.907 Ave N Shift Values>> N :: 123.23(3.54) 1.L179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.4 K 0.07 L 0.06 G 0.02 HN Overlap>> 1.T147 1.T147 C Shift Assignments>> C :: 177.615 CA :: 58.258 CB :: 42.774 CG :: 28.855 CD1 :: 27.517 CD2 :: 24.995 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 :: 8.094 HA :: 3.913 HB2 :: 2.061 HB3 :: 1.099 HG :: 1.809 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 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 :: 119.695 Ave N Shift Values>> N :: 121.86(3.9) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.35 A 0.01 R 0.01 HN Overlap>> 1.Y111 1.Y111 C Shift Assignments>> C :: 177.841 CA :: 56.519 CB :: 41.096 CG :: 26.553 CD1 :: 25.866 CD2 :: 22.944 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 :: 6.676 HA :: 4.113 HB2 :: 1.787 HB3 :: 1.612 HG :: 1.846 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.595 HD22 :: 0.595 HD23 :: 0.595 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 :: 111.732 Ave N Shift Values>> N :: 121.86(3.9) 1.T181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.T69 1.T69 C Shift Assignments>> C :: 174.619 CA :: 61.197 CB :: 70.937 CG2 :: 20.970 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.760 HA :: 4.506 HB :: 4.513 HG21 :: 1.264 HG22 :: 1.264 HG23 :: 1.264 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 :: 105.944 Ave N Shift Values>> N :: 115.42(4.75) 1.M182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.4 A 0.12 C Shift Assignments>> C :: 172.135 CA :: 55.663 CB :: 35.250 CG :: 31.136 CE :: 16.778 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.620 HA :: 4.535 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 2.628 HG3 :: 2.583 HE1 :: 1.929 HE2 :: 1.929 HE3 :: 1.929 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.695 Ave N Shift Values>> N :: 120.09(3.57) 1.S183 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.147 CA :: 54.900 CB :: 64.866 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.267 HA :: 4.593 HB2 :: 3.471 HB3 :: 2.400(S) HG :: 5.098 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 :: 109.924 Ave N Shift Values>> N :: 116.28(3.52) 1.K184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.37 HN Overlap>> 1.N158 1.N158 1.V88 1.V88 C Shift Assignments>> C :: 176.345 CA :: 60.415 CB :: 32.527 CG :: 25.508 CD :: 29.831 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 :: 7.941 HA :: 3.332 HB2 :: 2.192 HB3 :: 1.348 HG2 :: 1.188 HG3 :: 1.026 HD2 :: 1.751 HD3 :: 1.594 HE2 :: 2.954 HE3 :: 2.954 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 :: 120.643 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.993 CA :: 44.637 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.820 HA2 :: 4.360 HA3 :: 3.700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.430 Ave N Shift Values>> N :: 109.67(3.87) 1.E186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 M 0.11 E 0.11 C Shift Assignments>> C :: 174.945 CA :: 56.547 CB :: 33.107 CG :: 37.897 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 :: 8.598 HA :: 4.209 HB2 :: 2.287 HB3 :: 2.088 HG2 :: 2.653 HG3 :: 2.653 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 :: 123.477 Ave N Shift Values>> N :: 120.67(3.48) 1.K187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.27 K 0.24 C Shift Assignments>> C :: 175.073 CA :: 54.291 CB :: 36.400 CG :: 25.817 CD :: 29.826 CE :: 41.733 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 :: 8.772 HA :: 5.563 HB2 :: 1.752 HB3 :: 1.478 HG2 :: 1.265 HG3 :: 1.035 HD2 :: 1.514 HD3 :: 1.514 HE2 :: 2.797 HE3 :: 2.626 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.976 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.2 A 0.14 K 0.07 P 0.05 C Shift Assignments>> C :: 174.203 CA :: 50.563 CB :: 23.694 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.490 HA :: 5.207 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.036 Ave N Shift Values>> N :: 123.23(3.54) 1.R189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.32 K 0.27 G 0.06 C Shift Assignments>> C :: 175.216 CA :: 54.720 CB :: 32.326 CG :: 28.681 CD :: 43.161 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 :: 9.210 HA :: 5.252 HB2 :: 1.803 HB3 :: 1.601 HG2 :: 1.467 HG3 :: 1.336 HD2 :: 3.163 HD3 :: 3.119 HE :: 7.389 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 :: 121.560 NE :: 84.497 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.L190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.42 C 0.1 A 0.03 R 0.01 C Shift Assignments>> C :: 175.765 CA :: 52.351 CB :: 44.490 CG :: 27.060 CD1 :: 25.660 CD2 :: 23.601 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.994 HA :: 5.544 HB2 :: 1.919 HB3 :: 1.183 HG :: 1.576 HD11 :: 0.499 HD12 :: 0.499 HD13 :: 0.499 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 :: 128.226 Ave N Shift Values>> N :: 121.86(3.9) 1.E191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.31 M 0.19 Q 0.07 K 0.03 C Shift Assignments>> C :: 176.734 CA :: 55.457 CB :: 30.795 CG :: 36.046 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 :: 8.624 HA :: 5.230 HB2 :: 2.014 HB3 :: 1.804 HG2 :: 2.145 HG3 :: 2.145 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 :: 123.268 Ave N Shift Values>> N :: 120.67(3.48) 1.I192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 174.677 CA :: 61.553 CB :: 41.354 CG2 :: 19.436 CD1 :: 15.001 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 :: 9.620 HA :: 4.475 HB :: 1.757 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.296 Ave N Shift Values>> N :: 121.46(4.28) 1.E193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.31 K 0.15 Q 0.13 I 0.03 R 0.01 HN Overlap>> 1.L104 1.L104 C Shift Assignments>> C :: 175.496 CA :: 55.412 CB :: 28.348 CG :: 35.851 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 :: 8.220 HA :: 4.247 HB2 :: 2.361 HB3 :: 1.724 HG2 :: 2.138 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 :: 125.304 Ave N Shift Values>> N :: 120.67(3.48) 1.P194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 180.007 CA :: 65.025 CB :: 30.746 CG :: 27.457 CD :: 49.802 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 :: 4.334 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 1.597 HG3 :: 1.573 HD2 :: 3.978 HD3 :: 3.248 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.E195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.31 E 0.25 K 0.03 C Shift Assignments>> C :: 177.968 CA :: 59.866 CB :: 28.912 CG :: 36.845 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 :: 9.607 HA :: 4.054 HB2 :: 1.931 HB3 :: 1.931 HG2 :: 2.259 HG3 :: 2.259 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.647 Ave N Shift Values>> N :: 120.67(3.48) 1.W196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 H 0.33 W 0.23 HN Overlap>> 1.T147 1.T147 C Shift Assignments>> C :: 172.582 CA :: 55.885 CB :: 28.474 CZ2 :: 115.994 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 :: 7.949 HA :: 4.991 HB2 :: 3.409 HB3 :: 2.797 HD1 :: 6.917 HE1 :: 10.454 HE3 :: 7.215 HZ2 :: 7.541 HZ3 :: 6.891 HH2 :: 7.344 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 :: 119.736 NE1 :: 131.035 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 176.155 CA :: 51.497 CB :: 18.902 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.932 HA :: 4.426 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.616 Ave N Shift Values>> N :: 123.23(3.54) 1.Y198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 C Shift Assignments>> C :: 176.813 CA :: 59.082 CB :: 37.695 CE1 :: 118.474 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.455 HA :: 4.565 HB2 :: 3.131 HB3 :: 2.576 HD1 :: 7.033 HD2 :: 7.033 HE1 :: 6.561 HE2 :: 6.561 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 :: 122.119 Ave N Shift Values>> N :: 120.52(4.2) 1.G199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.556 CA :: 46.555 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.408 HA2 :: 3.953 HA3 :: 3.577 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.005 Ave N Shift Values>> N :: 109.67(3.87) 1.K200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.46 K 0.43 R 0.1 C Shift Assignments>> C :: 177.195 CA :: 58.382 CB :: 32.887 CE :: 41.760 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 :: 7.290 HA :: 4.015 HB2 :: 1.807 HB3 :: 1.807 HG2 :: 1.470 HG3 :: 1.470 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.942 HE3 :: 2.942 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.K201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.45 R 0.07 HN Overlap>> 1.T98 1.T98 C Shift Assignments>> C :: 179.232 CA :: 57.796 CB :: 33.131 CG :: 25.088 CD :: 28.972 CE :: 41.799 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 :: 8.210 HA :: 4.103 HB2 :: 1.925 HB3 :: 1.866 HG2 :: 1.385 HG3 :: 1.385 HD2 :: 1.709 HD3 :: 1.709 HE2 :: 2.949 HE3 :: 2.949 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 :: 116.440 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.687 CA :: 44.576 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.081 HA2 :: 3.557 HA3 :: 3.376 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.052 Ave N Shift Values>> N :: 109.67(3.87) 1.Q203 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.32 C 0.23 K 0.17 M 0.15 E 0.1 HN Overlap>> 1.S79 1.S79 C Shift Assignments>> C :: 174.084 CA :: 53.645 CB :: 29.992 CG :: 34.361 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 :: 8.301 HA :: 4.518 HB2 :: 1.639 HB3 :: 0.727(S) HG2 :: 1.917 HG3 :: 1.735 HE21 :: 7.301 HE22 :: 6.772 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 :: 119.871 NE2 :: 112.397 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> C :: 179.447 CA :: 65.394 CB :: 32.072 CG :: 27.107 CD :: 50.315 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 :: 4.094 HB2 :: 2.263 HB3 :: 1.904 HG2 :: 1.981 HG3 :: 1.955 HD2 :: 3.679 HD3 :: 3.377 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.D205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 D 0.15 C 0.12 L 0.11 N 0.06 I 0.04 K 0.01 HN Overlap>> 1.N46 1.S100 1.N46 1.S100 C Shift Assignments>> C :: 176.400 CA :: 56.537 CB :: 39.829 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 :: 8.384 HA :: 4.338 HB2 :: 2.615 HB3 :: 2.615 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.217 Ave N Shift Values>> N :: 120.65(3.86) 1.A206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> C :: 175.169 CA :: 51.027 CB :: 19.438 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.440 HA :: 4.517 HB1 :: 1.223 HB2 :: 1.223 HB3 :: 1.223 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.587 Ave N Shift Values>> N :: 123.23(3.54) 1.K207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.24 L 0.17 K 0.08 C Shift Assignments>> C :: 175.292 CA :: 57.064 CB :: 28.758 CG :: 25.549 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 :: 7.566 HA :: 3.599 HB2 :: 2.100 HB3 :: 1.818 HG2 :: 1.272 HG3 :: 1.252 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.942 HE3 :: 2.942 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 111.498 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.42 A 0.01 HN Overlap>> 1.L44 1.L44 C Shift Assignments>> CA :: 58.087 CB :: 38.345 CG1 :: 26.694 CG2 :: 17.209 CD1 :: 12.921 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.298 HA :: 4.123 HB :: 1.125 HG12 :: 1.029 HG13 :: -0.010 HG21 :: 0.624 HG22 :: 0.624 HG23 :: 0.624 HD11 :: -0.162 HD12 :: -0.162 HD13 :: -0.162 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.906 Ave N Shift Values>> N :: 121.46(4.28) 1.P209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 P 0.48 C Shift Assignments>> CA :: 62.097 CB :: 31.060 CG :: 26.352 CD :: 51.677 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 :: 4.633 HB2 :: 2.265 HB3 :: 1.873 HG2 :: 1.906 HG3 :: 1.815 HD2 :: 4.061 HD3 :: 3.321 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.P210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.28 C Shift Assignments>> C :: 175.958 CA :: 63.509 CB :: 33.150 CG :: 28.011 CD :: 50.849 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 :: 3.677 HB2 :: 2.479 HB3 :: 1.601 HG2 :: 1.981 HG3 :: 1.694 HD2 :: 3.661 HD3 :: 3.399 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.N211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.18 Y 0.1 E 0.09 F 0.07 M 0.05 D 0.05 L 0.01 HN Overlap>> 1.D120 1.D120 C Shift Assignments>> C :: 173.005 CA :: 54.102 CB :: 37.376 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 :: 8.183 HA :: 3.864 HB2 :: 2.838 HB3 :: 2.729 HD21 :: 7.546 HD22 :: 6.794 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.411 ND2 :: 114.431 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.04 C 0.02 L 0.02 C Shift Assignments>> C :: 176.131 CA :: 52.288 CB :: 20.175 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.733 HA :: 4.305 HB1 :: 1.159 HB2 :: 1.159 HB3 :: 1.159 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.929 Ave N Shift Values>> N :: 123.23(3.54) 1.K213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.42 R 0.05 HN Overlap>> 1.L214 1.L214 C Shift Assignments>> C :: 176.744 CA :: 56.176 CB :: 32.961 CG :: 24.700 CD :: 29.521 CE :: 41.736 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 :: 8.411 HA :: 4.531 HB2 :: 1.705 HB3 :: 1.705 HG2 :: 1.318 HG3 :: 1.134 HD2 :: 1.515 HD3 :: 1.515 HE2 :: 2.773 HE3 :: 2.708 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 :: 125.619 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.19 L 0.17 A 0.04 HN Overlap>> 1.K213 1.K213 C Shift Assignments>> C :: 175.488 CA :: 53.671 CB :: 45.792 CG :: 27.019 CD1 :: 27.192 CD2 :: 23.364 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 :: 8.417 HA :: 4.995 HB2 :: 1.747 HB3 :: 1.509 HG :: 1.764 HD11 :: 1.143 HD12 :: 1.143 HD13 :: 1.143 HD21 :: 0.650 HD22 :: 0.650 HD23 :: 0.650 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 :: 125.729 Ave N Shift Values>> N :: 121.86(3.9) 1.T215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.625 CA :: 61.211 CB :: 69.805 CG2 :: 21.288 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 :: 8.594 HA :: 5.495 HB :: 3.957 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.245 Ave N Shift Values>> N :: 115.42(4.75) 1.F216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 Y 0.22 F 0.15 C 0.13 C Shift Assignments>> C :: 175.641 CA :: 55.974 CB :: 44.249 CD1 :: 130.579 CE1 :: 132.332 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.653 HA :: 5.645 HB2 :: 2.517 HB3 :: 2.478 HD1 :: 6.771 HD2 :: 6.771 HE1 :: 7.109 HE2 :: 7.109 HZ :: 7.546 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 :: 123.887 Ave N Shift Values>> N :: 120.45(4.18) 1.E217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.33 M 0.18 C Shift Assignments>> C :: 175.874 CA :: 55.894 CB :: 31.563 CG :: 37.131 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 :: 8.823 HA :: 5.223 HB2 :: 1.883 HB3 :: 1.773 HG2 :: 2.209 HG3 :: 1.896 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 :: 122.640 Ave N Shift Values>> N :: 120.67(3.48) 1.V218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 172.981 CA :: 60.467 CB :: 35.976 CG1 :: 21.146 CG2 :: 20.950 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 :: 9.035 HA :: 4.956 HB :: 1.625 HG11 :: 0.735 HG12 :: 0.735 HG13 :: 0.735 HG21 :: 0.416 HG22 :: 0.416 HG23 :: 0.416 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.181 Ave N Shift Values>> N :: 121.14(4.54) 1.E219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.34 E 0.07 Q 0.02 C Shift Assignments>> C :: 175.365 CA :: 53.735 CB :: 33.700 CG :: 35.518 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 :: 9.305 HA :: 5.432 HB2 :: 2.226 HB3 :: 1.779 HG2 :: 1.967 HG3 :: 1.863 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 :: 128.408 Ave N Shift Values>> N :: 120.67(3.48) 1.L220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.31 R 0.16 K 0.01 A 0.01 C Shift Assignments>> C :: 174.412 CA :: 53.917 CB :: 41.663 CG :: 28.395 CD1 :: 26.523 CD2 :: 24.259 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 :: 8.734 HA :: 4.652 HB2 :: 2.183 HB3 :: 1.042 HG :: 1.243 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.128 Ave N Shift Values>> N :: 121.86(3.9) 1.V221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.883 CA :: 63.823 CB :: 32.848 CG1 :: 21.893 CG2 :: 21.347 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 :: 8.783 HA :: 3.961 HB :: 1.684 HG11 :: 0.668 HG12 :: 0.668 HG13 :: 0.668 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 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 :: 126.393 Ave N Shift Values>> N :: 121.14(4.54) 1.D222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.3 R 0.16 D 0.11 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.042 CA :: 52.806 CB :: 43.973 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.503 HA :: 4.601 HB2 :: 2.228 HB3 :: 2.138 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.805 Ave N Shift Values>> N :: 120.65(3.86) 1.I223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.37 G 0.04 C Shift Assignments>> C :: 174.825 CA :: 60.639 CB :: 42.685 CG1 :: 28.500 CG2 :: 17.768 CD1 :: 14.777 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 :: 8.738 HA :: 4.606 HB :: 1.451 HG12 :: 1.230 HG13 :: 1.044 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 HD11 :: 0.506 HD12 :: 0.506 HD13 :: 0.506 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.485 Ave N Shift Values>> N :: 121.46(4.28) 1.D224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.19 F 0.16 Y 0.12 D 0.12 C 0.07 R 0.04 I 0.01 N 0.01 C Shift Assignments>> C :: 181.246 CA :: 56.911 CB :: 41.559 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.074 HA :: 4.266 HB2 :: 2.558 HB3 :: 2.558 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 :: 133.060 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 206 #Clerical: 0 #Suspicious: 18 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 223 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 223 #Suspicious: 1 C Shift Results: #Consistent: 944 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1594 #Duplicate: 0 #Unknown: 0 #Suspicious: 36 #Anomalous: 0 N Shift Results: #Consistent: 228 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.P6 HD3 = 2.044(S), Expected = 3.61, Std = 0.3900, ChiSquare = 5.9349e-05 1.R8 HB3 = 0.355(S), Expected = 1.76, Std = 0.2800, ChiSquare = 5.2251e-07 1.A9 HB1 = 0.385(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.0600e-04 1.A9 HB2 = 0.385(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.0600e-04 1.A9 HB3 = 0.385(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.0600e-04 1.L20 HD11 = -0.587(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7971e-06 1.L20 HD12 = -0.587(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7971e-06 1.L20 HD13 = -0.587(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7971e-06 1.L66 HG = 0.181(S), Expected = 1.51, Std = 0.3300, ChiSquare = 5.6428e-05 1.L66 HD21 = -0.660(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.6422e-06 1.L66 HD22 = -0.660(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.6422e-06 1.L66 HD23 = -0.660(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.6422e-06 1.K70 HA = 2.794(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.9495e-04 1.K70 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K70 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.R71 H = 6.187(S), Expected = 8.24, Std = 0.6100, ChiSquare = 7.6385e-04 1.R71 HB3 = 0.789(S), Expected = 1.76, Std = 0.2800, ChiSquare = 5.2463e-04 1.K110 HB3 = -0.199(S), Expected = 1.74, Std = 0.2700, ChiSquare = 6.8960e-13 1.K110 HG2 = 0.503(S), Expected = 1.37, Std = 0.2600, ChiSquare = 8.5417e-04 1.N123 HD21 = 9.180(S), Expected = 7.35, Std = 0.4800, ChiSquare = 1.3757e-04 1.V131 HG21 = -0.194(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.8523e-04 1.V131 HG22 = -0.194(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.8523e-04 1.V131 HG23 = -0.194(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.8523e-04 1.G137 HA3 = 2.032(S), Expected = 3.90, Std = 0.3700, ChiSquare = 4.4495e-07 1.T147 CG2 = 17.753(S), Expected = 21.55, Std = 1.1100, ChiSquare = 6.2455e-04 1.P161 HA = 3.149(S), Expected = 4.40, Std = 0.3300, ChiSquare = 1.5010e-04 1.P161 HB3 = 0.458(S), Expected = 2.00, Std = 0.3600, ChiSquare = 1.8411e-05 1.V171 HG11 = -1.091(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.4854e-13 1.V171 HG12 = -1.091(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.4854e-13 1.V171 HG13 = -1.091(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.4854e-13 1.V171 HG21 = -0.166(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.6059e-04 1.V171 HG22 = -0.166(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.6059e-04 1.V171 HG23 = -0.166(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.6059e-04 1.R173 HG3 = 0.328(S), Expected = 1.54, Std = 0.2900, ChiSquare = 2.9239e-05 1.R173 HD3 = 1.657(S), Expected = 3.10, Std = 0.2600, ChiSquare = 2.8567e-08 1.W175 HE1 = 6.820(S), Expected = 10.08, Std = 0.6600, ChiSquare = 7.8366e-07 1.W175 HH2 = 5.600(S), Expected = 6.98, Std = 0.3900, ChiSquare = 4.0247e-04 1.W175 NE1 = 118.500(S), Expected = 129.32, Std = 2.1100, ChiSquare = 2.9290e-07 1.S183 HB3 = 2.400(S), Expected = 3.85, Std = 0.2700, ChiSquare = 7.8575e-08 1.Q203 HB3 = 0.727(S), Expected = 2.02, Std = 0.2800, ChiSquare = 3.8772e-06