Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.FME1 Overall Status: Residue type FME not supported. 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.31 G 0.19 D 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.383 CA :: 43.846 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.786 HA2 :: 4.021 HA3 :: 3.969 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.701 Ave N Shift Values>> N :: 109.67(3.87) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.17 Q 0.17 W 0.14 E 0.13 M 0.09 K 0.04 HN Overlap>> 1.V99 1.V99 C Shift Assignments>> C :: 174.348 CA :: 54.850 CB :: 29.995 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.938 HA :: 4.294 HB2 :: 1.876 HB3 :: 1.876 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 :: 119.311 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 V 0.1 M 0.06 HN Overlap>> 1.M81 1.M81 C Shift Assignments>> C :: 173.339 CA :: 60.984 CB :: 29.687 CG1 :: 18.772 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 :: 7.716 HA :: 4.047 HB :: 2.285 HG11 :: 1.089 HG12 :: 1.089 HG13 :: 1.089 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.450 Ave N Shift Values>> N :: 121.14(4.54) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.21 F 0.07 Y 0.07 L 0.06 HN Overlap>> 1.A80 1.A80 C Shift Assignments>> C :: 174.800 CA :: 53.046 CB :: 39.003 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 :: 7.808 HA :: 4.315 HB2 :: 1.794 HB3 :: 1.794 HG :: 1.578 HD11 :: 0.942 HD12 :: 0.942 HD13 :: 0.942 HD21 :: 1.010 HD22 :: 1.010 HD23 :: 1.010 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 :: 120.215 Ave N Shift Values>> N :: 121.86(3.9) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.779 CA :: 59.515 CB :: 35.662 CG1 :: 24.656 CG2 :: 15.021 CD1 :: 10.667 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 :: 7.559 HA :: 4.173 HB :: 1.953 HG12 :: 1.170 HG13 :: 1.427 HG21 :: 0.878 HG22 :: 0.878 HG23 :: 0.878 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 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 :: 117.695 Ave N Shift Values>> N :: 121.46(4.28) 1.W7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.26 Q 0.11 H 0.07 K 0.06 W 0.06 E 0.03 I 0.01 C Shift Assignments>> C :: 173.704 CA :: 55.237 CB :: 26.748 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 :: 7.876 HA :: 4.181 HB2 :: 3.366 HB3 :: 3.366 HD1 :: 7.311 HE1 :: 10.087 HZ2 :: 7.455 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 :: 121.817 NE1 :: 128.886 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 M 0.13 E 0.06 Y 0.03 F 0.02 K 0.02 D 0.01 Q 0.01 HN Overlap>> 1.N144 1.N144 C Shift Assignments>> C :: 172.727 CA :: 51.423 CB :: 36.252 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 :: 8.097 HA :: 4.387 HB2 :: 2.810 HB3 :: 2.810 HD21 :: 7.574 HD22 :: 6.821 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 :: 118.550 ND2 :: 111.601 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.706 CA :: 56.139 CB :: 61.389 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.019 HA :: 4.560 HB2 :: 4.074 HB3 :: 3.955 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 :: 114.243 Ave N Shift Values>> N :: 116.28(3.52) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T41 1.T41 C Shift Assignments>> C :: 171.648 CA :: 56.300 CB :: 61.447 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.191 HA :: 4.576 HB2 :: 4.084 HB3 :: 4.084 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.564 Ave N Shift Values>> N :: 116.28(3.52) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.38 C Shift Assignments>> C :: 173.983 CA :: 50.750 CB :: 14.568 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.320 HA :: 4.265 HB1 :: 1.267 HB2 :: 1.267 HB3 :: 1.267 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.608 Ave N Shift Values>> N :: 123.23(3.54) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.99 C Shift Assignments>> C :: 174.679 CA :: 62.486 CB :: 28.578 CG :: 25.168 CD :: 47.515 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 :: 4.381 HB2 :: 1.848 HB3 :: 2.246 HG2 :: 1.966 HG3 :: 2.025 HD2 :: 3.748 HD3 :: 3.638 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.W13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.27 Q 0.12 K 0.07 H 0.07 W 0.06 E 0.04 I 0.02 C Shift Assignments>> C :: 174.402 CA :: 55.959 CB :: 26.734 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 :: 7.252 HA :: 4.664 HB2 :: 3.443 HB3 :: 3.443 HD1 :: 7.371 HE1 :: 10.521 HZ2 :: 7.569 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 :: 115.844 NE1 :: 129.754 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.22 Y 0.17 F 0.16 L 0.09 I 0.01 HN Overlap>> 1.L117 1.L117 1.L78 1.L138 1.L78 1.L138 C Shift Assignments>> C :: 176.343 CA :: 54.846 CB :: 39.134 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 :: 7.819 HA :: 4.160 HB2 :: 1.766 HB3 :: 1.766 HD11 :: 1.341 HD12 :: 1.341 HD13 :: 1.341 HD21 :: 1.003 HD22 :: 1.003 HD23 :: 1.003 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 :: 119.099 Ave N Shift Values>> N :: 121.86(3.9) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 K 0.15 R 0.02 HN Overlap>> 1.V111 1.F126 1.V111 1.F126 C Shift Assignments>> C :: 175.584 CA :: 55.495 CB :: 29.622 CG :: 26.532 CE :: 39.537 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 :: 7.858 HA :: 4.274 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 1.764 HD2 :: 1.549 HE2 :: 3.046 HE3 :: 3.046 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.424 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 Y 0.17 M 0.1 F 0.1 I 0.08 K 0.05 Q 0.02 N 0.01 V 0.01 C Shift Assignments>> C :: 174.187 CA :: 57.666 CB :: 36.440 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 :: 8.153 HA :: 4.463 HB2 :: 3.370 HB3 :: 3.297 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.083 Ave N Shift Values>> N :: 120.45(4.18) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 A 0.18 I 0.02 K 0.02 C Shift Assignments>> C :: 175.326 CA :: 57.479 CB :: 29.298 CG :: 22.589 CE :: 39.384 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 :: 8.350 HB2 :: 1.830 HG3 :: 1.361 HE2 :: 2.976 HE3 :: 2.976 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.175 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 M 0.26 E 0.18 K 0.07 Q 0.07 Y 0.04 F 0.02 H 0.01 HN Overlap>> 1.H21 1.F28 1.L123 1.H21 1.F28 1.L123 C Shift Assignments>> C :: 174.832 CA :: 53.227 CB :: 35.752 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 :: 7.999 HA :: 4.466 HB2 :: 3.032 HB3 :: 3.032 HD21 :: 7.753 HD22 :: 6.946 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 :: 116.578 ND2 :: 111.533 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L106 1.L122 1.L106 1.L122 C Shift Assignments>> C :: 174.567 CA :: 61.706 CB :: 35.151 CG1 :: 26.342 CG2 :: 15.187 CD1 :: 10.770 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 :: 7.974 HA :: 3.985 HB :: 2.128 HG12 :: 1.399 HG13 :: 1.826 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.682 Ave N Shift Values>> N :: 121.46(4.28) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 M 0.01 HN Overlap>> 1.K127 1.M137 1.K127 1.M137 1.M74 1.V58 1.M74 1.V58 C Shift Assignments>> C :: 174.588 CA :: 61.397 CB :: 34.257 CG1 :: 25.690 CG2 :: 15.275 CD1 :: 9.743 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 :: 7.889 HA :: 3.796 HB :: 1.971 HG12 :: 1.201 HG13 :: 1.450 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 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 :: 118.211 Ave N Shift Values>> N :: 121.46(4.28) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 K 0.26 R 0.19 Q 0.07 H 0.04 W 0.03 I 0.01 E 0.01 HN Overlap>> 1.N18 1.N18 1.F28 1.F28 C Shift Assignments>> C :: 172.963 CA :: 55.598 CB :: 25.801 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 :: 7.979 HA :: 4.475 HB2 :: 3.498 HB3 :: 3.446 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 :: 116.561 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.24 F 0.15 Y 0.14 L 0.13 I 0.01 HN Overlap>> 1.K77 1.M25 1.K77 1.M25 1.E85 1.E85 C Shift Assignments>> C :: 175.519 CA :: 54.722 CB :: 39.812 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 :: 7.786 HA :: 4.192 HB2 :: 2.010 HB3 :: 2.010 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.945 Ave N Shift Values>> N :: 121.86(3.9) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 E 0.14 K 0.06 Q 0.05 R 0.02 C Shift Assignments>> C :: 173.511 CA :: 60.649 CB :: 35.728 CG1 :: 26.692 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 :: 7.759 HA :: 4.030 HB :: 2.094 HG12 :: 1.819 HG13 :: 1.819 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 HD11 :: 0.942 HD12 :: 0.942 HD13 :: 0.942 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 :: 116.030 Ave N Shift Values>> N :: 121.46(4.28) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 V 0.07 M 0.06 C Shift Assignments>> C :: 173.564 CA :: 60.907 CB :: 29.437 CG1 :: 18.738 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 :: 7.797 HA :: 4.128 HB :: 2.311 HG11 :: 1.077 HG12 :: 1.077 HG13 :: 1.077 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 115.524 Ave N Shift Values>> N :: 121.14(4.54) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.18 R 0.15 W 0.13 K 0.12 E 0.09 M 0.07 L 0.01 HN Overlap>> 1.L22 1.E85 1.L22 1.E85 C Shift Assignments>> C :: 173.726 CA :: 53.742 CB :: 29.587 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 :: 7.763 HA :: 4.516 HB2 :: 2.590 HB3 :: 2.590 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.035 Ave N Shift Values>> N :: 120.09(3.57) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 M 0.05 D 0.03 Y 0.03 E 0.03 F 0.02 HN Overlap>> 1.V104 1.N144 1.V104 1.N144 C Shift Assignments>> CA :: 51.217 CB :: 36.977 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 :: 8.037 HA :: 4.894 HB2 :: 3.034 HB3 :: 3.034 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 :: 118.450 Ave N Shift Values>> N :: 120.65(3.86) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.98 C Shift Assignments>> C :: 174.553 CA :: 61.765 CB :: 29.022 CG :: 24.378 CD :: 47.631 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 :: 4.488 HB2 :: 2.226 HB3 :: 1.647 HG2 :: 1.956 HG3 :: 1.740 HD2 :: 3.850 HD3 :: 3.721 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 M 0.17 Y 0.11 K 0.08 F 0.06 Q 0.05 N 0.04 I 0.02 HN Overlap>> 1.E47 1.N18 1.H21 1.T100 1.E47 1.N18 1.H21 1.T100 C Shift Assignments>> C :: 174.016 CA :: 56.294 CB :: 36.065 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 :: 7.949 HA :: 4.603 HB2 :: 3.371 HB3 :: 3.231 HD1 :: 7.415 HD2 :: 7.415 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 :: 116.535 Ave N Shift Values>> N :: 120.45(4.18) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 I 0.22 C Shift Assignments>> C :: 173.801 CA :: 61.191 CB :: 29.994 CG1 :: 18.572 CG2 :: 18.888 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 :: 7.659 HA :: 4.074 HB :: 2.221 HG11 :: 1.048 HG12 :: 1.048 HG13 :: 1.048 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.777 Ave N Shift Values>> N :: 121.14(4.54) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 M 0.14 E 0.1 Y 0.04 F 0.03 K 0.02 D 0.01 Q 0.01 HN Overlap>> 1.F94 1.F94 C Shift Assignments>> C :: 174.670 CA :: 52.247 CB :: 36.352 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.274 HA :: 4.767 HB2 :: 2.934 HB3 :: 2.796 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 :: 120.844 Ave N Shift Values>> N :: 120.65(3.86) 1.L31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.24 R 0.11 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.575 CA :: 44.541 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.411 HA2 :: 3.875 HA3 :: 4.117 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.781 Ave N Shift Values>> N :: 109.67(3.87) 1.I33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.24 T 0.24 I 0.19 P 0.13 S 0.08 F 0.02 Y 0.02 W 0.01 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 176.835 CA :: 62.375 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 :: 8.032 HG21 :: 1.310 HG22 :: 1.310 HG23 :: 1.310 HD11 :: 1.036 HD12 :: 1.036 HD13 :: 1.036 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 :: 121.965 Ave N Shift Values>> N :: 121.46(4.28) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 174.918 CA :: 64.859 CB :: 29.218 CG1 :: 20.541 CG2 :: 18.912 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 :: 8.260 HA :: 3.664 HB :: 2.388 HG11 :: 1.168 HG12 :: 1.168 HG13 :: 1.168 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.557 Ave N Shift Values>> N :: 121.14(4.54) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 A 0.12 C Shift Assignments>> C :: 175.723 CA :: 55.727 CB :: 38.851 CG :: 26.576 CD1 :: 22.863 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 :: 8.696 HA :: 3.996 HB2 :: 1.953 HB3 :: 1.953 HG :: 1.788 HD11 :: 0.992 HD12 :: 0.992 HD13 :: 0.992 HD21 :: 0.992 HD22 :: 0.992 HD23 :: 0.992 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 :: 118.589 Ave N Shift Values>> N :: 121.86(3.9) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 N 0.24 M 0.18 Y 0.09 F 0.05 K 0.05 Q 0.03 D 0.01 I 0.01 HN Overlap>> 1.E73 1.E73 C Shift Assignments>> C :: 175.594 CA :: 54.387 CB :: 36.290 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 :: 8.465 HA :: 4.616 HB2 :: 3.094 HB3 :: 2.946 HD21 :: 6.958 HD22 :: 7.709 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 :: 116.129 ND2 :: 112.272 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.23 P 0.17 T 0.17 I 0.12 HN Overlap>> 1.S10 1.S10 C Shift Assignments>> C :: 173.506 CA :: 64.872 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 :: 8.155 HA :: 4.079 HB :: 4.486 HG21 :: 1.347 HG22 :: 1.347 HG23 :: 1.347 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 :: 116.616 Ave N Shift Values>> N :: 115.42(4.75) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 L 0.21 HN Overlap>> 1.Q112 1.A45 1.Q112 1.A45 C Shift Assignments>> C :: 175.788 CA :: 55.933 CB :: 39.010 CG :: 24.580 CD1 :: 21.637 CD2 :: 22.390 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 :: 8.312 HA :: 4.142 HB2 :: 1.874 HB3 :: 1.874 HG :: 1.678 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.387 Ave N Shift Values>> N :: 121.86(3.9) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 M 0.17 K 0.13 Q 0.12 Y 0.07 I 0.04 V 0.04 F 0.03 H 0.01 R 0.01 W 0.01 C Shift Assignments>> C :: 176.024 CA :: 58.021 CB :: 35.310 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 :: 8.690 HA :: 4.506 HB2 :: 3.346 HB3 :: 3.408 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 :: 117.916 Ave N Shift Values>> N :: 120.45(4.18) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 R 0.31 M 0.2 HN Overlap>> 1.V65 1.F66 1.V65 1.F66 C Shift Assignments>> C :: 176.432 CA :: 55.937 CB :: 29.601 CG :: 29.832 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.259 HA :: 4.358 HB2 :: 2.972 HB3 :: 2.757 HG2 :: 2.481 HG3 :: 2.305 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.436 Ave N Shift Values>> N :: 120.09(3.57) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.46 HN Overlap>> 1.Q112 1.Q112 1.L42 1.L42 C Shift Assignments>> C :: 176.958 CA :: 52.711 CB :: 15.637 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.314 HA :: 4.300 HB1 :: 1.705 HB2 :: 1.705 HB3 :: 1.705 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.386 Ave N Shift Values>> N :: 123.23(3.54) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 Q 0.15 W 0.14 E 0.14 K 0.09 M 0.08 C Shift Assignments>> C :: 175.251 CA :: 55.649 CB :: 30.135 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.264 HA :: 4.335 HB2 :: 2.864 HB3 :: 2.691 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 :: 115.432 Ave N Shift Values>> N :: 120.09(3.57) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.25 K 0.11 Q 0.1 H 0.06 W 0.05 E 0.02 I 0.01 HN Overlap>> 1.T100 1.F28 1.T100 1.F28 C Shift Assignments>> C :: 174.553 CA :: 55.443 CB :: 26.431 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 :: 7.842 HA :: 4.203 HB2 :: 2.093 HB3 :: 2.155 HG2 :: 2.307 HG3 :: 2.435 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 :: 116.521 Ave N Shift Values>> N :: 120.67(3.48) 1.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 R 0.24 Q 0.09 K 0.07 H 0.06 W 0.04 E 0.02 C Shift Assignments>> C :: 171.298 CA :: 53.665 CB :: 26.571 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 :: 7.874 HA :: 4.624 HB2 :: 3.206 HB3 :: 3.307 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 :: 114.535 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 E 0.21 M 0.18 Y 0.07 K 0.04 F 0.04 Q 0.03 D 0.01 C Shift Assignments>> C :: 170.971 CA :: 53.616 CB :: 36.248 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.942 HA :: 4.959 HB2 :: 3.089 HB3 :: 3.189 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.635 Ave N Shift Values>> N :: 120.52(4.2) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.96 L 0.02 C Shift Assignments>> C :: 174.792 CA :: 61.102 CB :: 28.432 CG :: 25.064 CD :: 47.849 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 :: 4.660 HB2 :: 2.313 HB3 :: 2.313 HG2 :: 2.106 HG3 :: 2.072 HD2 :: 3.788 HD3 :: 3.502 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.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 M 0.28 R 0.19 Q 0.02 C Shift Assignments>> C :: 174.467 CA :: 54.609 CB :: 30.437 CG :: 29.827 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.293 HA :: 4.522 HB2 :: 2.226 HB3 :: 2.226 HG2 :: 2.723 HG3 :: 2.774 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.945 Ave N Shift Values>> N :: 120.09(3.57) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 S 0.43 C Shift Assignments>> C :: 172.920 CA :: 60.850 CB :: 66.570 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 :: 8.039 HA :: 4.151 HB :: 4.423 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 :: 110.567 Ave N Shift Values>> N :: 115.42(4.75) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 Q 0.33 K 0.19 M 0.03 HN Overlap>> 1.I93 1.I93 1.A129 1.A129 C Shift Assignments>> C :: 174.198 CA :: 55.005 CB :: 26.931 CG :: 32.890 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 :: 8.083 HA :: 4.294 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 2.273 HG3 :: 2.273 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 :: 120.521 Ave N Shift Values>> N :: 120.67(3.48) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 R 0.23 Q 0.09 K 0.07 H 0.06 W 0.04 E 0.01 C Shift Assignments>> C :: 172.501 CA :: 53.253 CB :: 26.556 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 :: 8.060 HA :: 4.859 HB2 :: 3.397 HB3 :: 3.112 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 :: 115.617 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 Y 0.15 M 0.13 F 0.09 N 0.06 K 0.05 I 0.03 Q 0.02 C Shift Assignments>> C :: 173.412 CA :: 56.345 CB :: 36.502 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 :: 8.209 HA :: 4.670 HB2 :: 3.362 HB3 :: 3.267 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.817 Ave N Shift Values>> N :: 120.45(4.18) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 Y 0.09 E 0.09 F 0.07 M 0.06 D 0.06 L 0.01 C Shift Assignments>> C :: 174.587 CA :: 53.588 CB :: 37.311 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 :: 8.499 HA :: 4.500 HB2 :: 2.843 HB3 :: 2.843 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 :: 118.735 Ave N Shift Values>> N :: 120.65(3.86) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 M 0.16 E 0.1 Y 0.04 K 0.03 F 0.03 Q 0.02 D 0.01 C Shift Assignments>> C :: 173.739 CA :: 52.222 CB :: 36.186 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 :: 8.218 HA :: 4.750 HB2 :: 2.993 HB3 :: 2.993 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 :: 116.863 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 I 0.17 HN Overlap>> 1.M137 1.I20 1.M74 1.M137 1.I20 1.M74 C Shift Assignments>> C :: 173.962 CA :: 62.221 CB :: 29.499 CG1 :: 19.128 CG2 :: 18.734 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 :: 7.951 HA :: 3.978 HB :: 2.295 HG11 :: 1.050 HG12 :: 1.050 HG13 :: 1.050 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.236 Ave N Shift Values>> N :: 121.14(4.54) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.19 D 0.16 A 0.15 L 0.09 M 0.07 H 0.06 R 0.05 Q 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 HN Overlap>> 1.A109 1.V116 1.A109 1.V116 C Shift Assignments>> C :: 175.170 CA :: 53.923 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.987 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 :: 120.053 Ave N Shift Values>> N :: 121.86(3.9) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.18 V 0.17 S 0.07 F 0.07 Y 0.06 W 0.05 P 0.03 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 HN Overlap>> 1.S119 1.S119 C Shift Assignments>> C :: 173.618 CA :: 61.059 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 :: 7.903 HA :: 4.382 HB :: 4.487 HG21 :: 1.353 HG22 :: 1.353 HG23 :: 1.353 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.865 Ave N Shift Values>> N :: 115.42(4.75) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R121 1.R121 C Shift Assignments>> C :: 174.939 CA :: 63.304 CB :: 29.194 CG1 :: 20.774 CG2 :: 18.878 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 :: 8.199 HA :: 3.901 HB :: 2.289 HG11 :: 1.165 HG12 :: 1.165 HG13 :: 1.165 HG21 :: 1.068 HG22 :: 1.068 HG23 :: 1.068 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 :: 120.954 Ave N Shift Values>> N :: 121.14(4.54) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.17 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.362 CA :: 44.851 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.655 HA2 :: 3.916 HA3 :: 3.812 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.433 Ave N Shift Values>> N :: 109.67(3.87) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 M 0.2 E 0.18 Y 0.06 K 0.05 Q 0.03 F 0.03 D 0.01 HN Overlap>> 1.H148 1.L76 1.H148 1.L76 C Shift Assignments>> C :: 175.218 CA :: 53.304 CB :: 36.123 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 :: 8.246 HA :: 4.700 HB2 :: 3.054 HB3 :: 3.017 HD21 :: 7.679 HD22 :: 7.032 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 :: 118.784 ND2 :: 112.133 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.1 HN Overlap>> 1.I37 1.I37 C Shift Assignments>> C :: 176.045 CA :: 55.443 CB :: 39.529 CG :: 26.699 CD2 :: 22.694 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 :: 8.107 HA :: 4.290 HB2 :: 2.086 HB3 :: 1.967 HG :: 1.784 HD11 :: 1.352 HD12 :: 1.352 HD13 :: 1.352 HD21 :: 1.049 HD22 :: 1.049 HD23 :: 1.049 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.959 Ave N Shift Values>> N :: 121.86(3.9) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.03 HN Overlap>> 1.F87 1.F87 1.F66 1.M44 1.F66 1.M44 C Shift Assignments>> C :: 174.767 CA :: 63.642 CB :: 29.046 CG1 :: 20.103 CG2 :: 18.876 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 :: 8.260 HA :: 3.790 HB :: 2.248 HG11 :: 1.111 HG12 :: 1.111 HG13 :: 1.111 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.352 Ave N Shift Values>> N :: 121.14(4.54) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.13 F 0.12 S 0.12 W 0.11 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.01 HN Overlap>> 1.V65 1.V65 1.M44 1.M44 C Shift Assignments>> C :: 174.735 CA :: 58.381 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 :: 8.341 HA :: 4.441 HB2 :: 3.346 HB3 :: 3.346 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 :: 118.405 Ave N Shift Values>> N :: 120.45(4.18) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 S 0.19 C Shift Assignments>> C :: 176.458 CA :: 63.506 CB :: 66.648 CG2 :: 19.267 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 :: 8.274 HA :: 4.201 HB :: 4.479 HG21 :: 1.423 HG22 :: 1.423 HG23 :: 1.423 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.470 Ave N Shift Values>> N :: 115.42(4.75) 1.G68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.44 C Shift Assignments>> C :: 176.335 CA :: 52.792 CB :: 15.627 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.524 HA :: 4.076 HB1 :: 1.605 HB2 :: 1.605 HB3 :: 1.605 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.628 Ave N Shift Values>> N :: 123.23(3.54) 1.E73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 M 0.21 R 0.17 H 0.15 W 0.13 Q 0.07 V 0.03 HN Overlap>> 1.N40 1.N40 C Shift Assignments>> C :: 175.702 CA :: 57.093 CG :: 32.101(S) 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 :: 8.488 HA :: 4.516 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 2.417 HG3 :: 2.622 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 :: 116.136 Ave N Shift Values>> N :: 120.67(3.48) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.11 H 0.1 Q 0.09 R 0.08 D 0.08 K 0.07 W 0.06 E 0.06 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.02 HN Overlap>> 1.K127 1.M137 1.I20 1.K127 1.M137 1.I20 1.V58 1.V58 C Shift Assignments>> C :: 175.798 CA :: 55.754 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 :: 7.946 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.199 Ave N Shift Values>> N :: 120.09(3.57) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I141 1.I141 C Shift Assignments>> C :: 174.896 CA :: 64.180 CB :: 29.018 CG1 :: 20.633 CG2 :: 19.212 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 :: 8.056 HA :: 3.717 HB :: 2.313 HG11 :: 1.157 HG12 :: 1.157 HG13 :: 1.157 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.800 Ave N Shift Values>> N :: 121.14(4.54) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.46 HN Overlap>> 1.N63 1.H148 1.N63 1.H148 C Shift Assignments>> C :: 176.482 CA :: 55.521 CB :: 39.060 CG :: 24.822 CD1 :: 22.506 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.215 HA :: 4.095 HB2 :: 1.946 HG :: 1.654 HD11 :: 0.974 HD12 :: 0.974 HD13 :: 0.974 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.781 Ave N Shift Values>> N :: 121.86(3.9) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 E 0.17 Q 0.17 W 0.17 R 0.16 M 0.06 K 0.04 I 0.01 HN Overlap>> 1.L22 1.L22 C Shift Assignments>> C :: 175.949 CA :: 56.809 CB :: 29.745 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 :: 7.851 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 :: 117.902 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.23 F 0.18 Y 0.18 L 0.11 I 0.01 HN Overlap>> 1.L14 1.L14 1.L138 1.L138 C Shift Assignments>> C :: 176.551 CA :: 55.160 CB :: 39.437 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 :: 7.817 HA :: 4.256 HB3 :: 1.764 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 :: 119.155 Ave N Shift Values>> N :: 121.86(3.9) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.099 CA :: 61.180 CB :: 35.474 CG2 :: 15.066 CD1 :: 11.236 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 :: 8.015 HA :: 3.887 HB :: 2.027 HG12 :: 1.340 HG13 :: 1.675 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 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 :: 115.978 Ave N Shift Values>> N :: 121.46(4.28) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.24 HN Overlap>> 1.L5 1.L5 C Shift Assignments>> C :: 175.335 CA :: 50.778 CB :: 16.177 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.814 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.290 Ave N Shift Values>> N :: 123.23(3.54) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.17 R 0.16 W 0.13 K 0.11 E 0.1 M 0.08 HN Overlap>> 1.V4 1.V4 C Shift Assignments>> CA :: 54.077 CB :: 29.736 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 :: 7.659 HA :: 4.452 HB2 :: 2.270 HB3 :: 2.270 HG2 :: 2.853 HG3 :: 2.723 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 :: 116.357 Ave N Shift Values>> N :: 120.09(3.57) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.85 D 0.05 F 0.02 Y 0.02 M 0.01 G 0.01 C Shift Assignments>> CA :: 49.602 CB :: 37.711 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 :: 8.001 HA :: 5.013 HB2 :: 2.826 HB3 :: 3.184 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.802 Ave N Shift Values>> N :: 120.65(3.86) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.98 C Shift Assignments>> C :: 175.007 CA :: 62.608 CB :: 29.325 CG :: 24.413 CD :: 47.582 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 :: 4.437 HB2 :: 2.059 HB3 :: 2.241 HG2 :: 1.870 HG3 :: 1.960 HD2 :: 4.009 HD3 :: 4.009 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.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 M 0.16 K 0.15 Q 0.14 Y 0.06 V 0.06 I 0.04 F 0.02 H 0.01 R 0.01 W 0.01 HN Overlap>> 1.N136 1.N136 C Shift Assignments>> C :: 175.111 CA :: 58.383 CB :: 35.123 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 :: 8.139 HA :: 4.324 HB2 :: 3.188 HB3 :: 3.188 HD1 :: 7.234 HD2 :: 7.234 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 :: 116.357 Ave N Shift Values>> N :: 120.52(4.2) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 R 0.37 Q 0.15 M 0.01 HN Overlap>> 1.M25 1.L22 1.M25 1.L22 C Shift Assignments>> C :: 175.659 CA :: 55.778 CB :: 26.119 CG :: 32.524 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 :: 7.824 HA :: 4.192 HB2 :: 2.097 HB3 :: 2.021 HG2 :: 2.302 HG3 :: 2.302 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 :: 118.023 Ave N Shift Values>> N :: 120.67(3.48) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 Y 0.14 M 0.11 I 0.09 F 0.07 K 0.07 Q 0.04 V 0.02 C Shift Assignments>> C :: 174.757 CA :: 58.330 CB :: 36.029 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.668 HA :: 4.376 HB2 :: 2.929 HB3 :: 2.993 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 :: 117.482 Ave N Shift Values>> N :: 120.52(4.2) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 Y 0.15 M 0.12 F 0.08 I 0.06 K 0.06 Q 0.03 N 0.01 V 0.01 HN Overlap>> 1.V65 1.V65 C Shift Assignments>> C :: 174.230 CA :: 57.454 CB :: 36.252 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 :: 8.203 HA :: 4.495 HB2 :: 3.339 HB3 :: 3.220 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 :: 118.265 Ave N Shift Values>> N :: 120.45(4.18) 1.Q88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Q89 1.Q89 H Shift Assignments>> H :: 8.092 HA :: 4.182 HE21 :: 6.863 HE22 :: 7.288 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.788 NE2 :: 111.729 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Q88 1.Q88 H Shift Assignments>> H :: 8.070 HA :: 4.379 HB2 :: 2.249 HB3 :: 2.170 HG2 :: 2.546 HG3 :: 1.339 HE21 :: 7.401 HE22 :: 6.759 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.781 NE2 :: 110.821 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 HN Overlap>> 1.G113 1.G113 C Shift Assignments>> C :: 171.803 CA :: 44.292 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.397 HA2 :: 3.868 HA3 :: 3.868 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.546 Ave N Shift Values>> N :: 109.67(3.87) 1.W91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 Q 0.13 H 0.08 W 0.08 K 0.05 E 0.05 I 0.04 C Shift Assignments>> C :: 174.305 CA :: 56.474 CB :: 26.931 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 :: 8.393 HA :: 4.599 HB2 :: 3.395 HB3 :: 3.231 HD1 :: 7.285 HE1 :: 10.047 HZ2 :: 7.502 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 :: 121.803 NE1 :: 128.377 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 M 0.23 E 0.14 K 0.06 Q 0.05 Y 0.04 F 0.02 H 0.01 C Shift Assignments>> C :: 175.014 CA :: 52.711 CB :: 35.865 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 :: 8.311 HA :: 4.657 HB2 :: 3.037 HB3 :: 3.037 HD21 :: 7.694 HD22 :: 7.036 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.937 ND2 :: 112.137 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E53 1.A129 1.E53 1.A129 C Shift Assignments>> C :: 174.606 CA :: 61.448 CB :: 35.877 CG1 :: 26.004 CG2 :: 15.067 CD1 :: 10.662 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 :: 8.072 HA :: 3.976 HB :: 2.010 HG12 :: 1.474 HG13 :: 1.249 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 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 :: 120.498 Ave N Shift Values>> N :: 121.46(4.28) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 Y 0.18 I 0.14 F 0.1 M 0.07 K 0.04 V 0.02 Q 0.01 HN Overlap>> 1.D30 1.D30 C Shift Assignments>> C :: 174.198 CA :: 58.742 CB :: 36.373 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 :: 8.246 HA :: 4.284 HB2 :: 3.285 HB3 :: 3.177 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.778 Ave N Shift Values>> N :: 120.45(4.18) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 E 0.15 Y 0.13 F 0.09 M 0.08 D 0.05 K 0.01 L 0.01 I 0.01 C Shift Assignments>> C :: 175.090 CA :: 54.283 CB :: 37.186 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 :: 8.531 HA :: 4.354 HB2 :: 2.648 HB3 :: 2.713 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 :: 117.724 Ave N Shift Values>> N :: 120.65(3.86) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.951 CA :: 59.077 CB :: 60.822 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.863 HA :: 4.387 HB2 :: 4.165 HB3 :: 4.041 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.495 Ave N Shift Values>> N :: 116.28(3.52) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.499 CA :: 61.989 CB :: 35.322 CG2 :: 19.222 CD1 :: 11.016 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 :: 8.071 HA :: 3.922 HB :: 2.129 HG12 :: 1.848 HG13 :: 1.848 HG21 :: 1.323 HG22 :: 1.323 HG23 :: 1.323 HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 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 :: 122.778 Ave N Shift Values>> N :: 121.46(4.28) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 M 0.01 C Shift Assignments>> C :: 175.820 CA :: 61.732 CB :: 34.272 CG1 :: 25.644 CG2 :: 15.199 CD1 :: 9.546 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 :: 8.016 HA :: 3.808 HB :: 2.044 HG12 :: 1.506 HG13 :: 1.242 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.803 Ave N Shift Values>> N :: 121.46(4.28) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 HN Overlap>> 1.K3 1.K3 C Shift Assignments>> C :: 175.774 CA :: 63.304 CB :: 29.123 CG1 :: 19.910 CG2 :: 19.157 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 :: 7.998 HA :: 3.922 HB :: 2.282 HG11 :: 1.160 HG12 :: 1.160 HG13 :: 1.160 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.274 Ave N Shift Values>> N :: 121.14(4.54) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 S 0.26 HN Overlap>> 1.E47 1.E47 1.F28 1.F28 C Shift Assignments>> C :: 173.382 CA :: 63.845 CB :: 66.285 CG2 :: 19.334 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 :: 7.895 HA :: 4.087 HB :: 4.396 HG21 :: 1.312 HG22 :: 1.312 HG23 :: 1.312 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 :: 116.443 Ave N Shift Values>> N :: 115.42(4.75) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 L 0.31 C Shift Assignments>> C :: 175.423 CA :: 54.722 CB :: 39.089 CG :: 26.554 CD1 :: 21.354 CD2 :: 22.757 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 :: 8.357 HA :: 4.214 HB2 :: 1.956 HB3 :: 1.956 HG :: 1.708 HD11 :: 1.030 HD12 :: 1.030 HD13 :: 1.030 HD21 :: 0.987 HD22 :: 0.987 HD23 :: 0.987 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 :: 120.678 Ave N Shift Values>> N :: 121.86(3.9) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.403 CA :: 58.536 CB :: 60.462 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.146 HA :: 4.408 HB2 :: 4.139 HB3 :: 4.187 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 :: 114.585 Ave N Shift Values>> N :: 116.28(3.52) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 A 0.23 C Shift Assignments>> C :: 176.346 CA :: 54.850 CB :: 39.437 CD1 :: 22.906 CD2 :: 22.578 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 :: 7.960 HA :: 4.311 HB2 :: 1.711 HB3 :: 1.925 HG :: 1.532 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 1.039 HD22 :: 1.039 HD23 :: 1.039 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.717 Ave N Shift Values>> N :: 121.86(3.9) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 I 0.04 HN Overlap>> 1.D26 1.D26 1.N144 1.N144 C Shift Assignments>> C :: 174.768 CA :: 63.098 CB :: 29.235 CG1 :: 19.773 CG2 :: 18.975 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 :: 8.033 HA :: 3.853 HB :: 2.368 HG11 :: 1.153 HG12 :: 1.153 HG13 :: 1.153 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.407 Ave N Shift Values>> N :: 121.14(4.54) 1.E105 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 R 0.42 Q 0.09 M 0.01 HN Overlap>> 1.I142 1.I142 C Shift Assignments>> C :: 175.272 CA :: 56.371 CB :: 26.060 CG :: 32.101(S) 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 :: 8.286 HA :: 4.124 HB2 :: 2.269 HB3 :: 2.269 HG2 :: 2.582 HG3 :: 2.442 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 :: 119.340 Ave N Shift Values>> N :: 120.67(3.48) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 A 0.43 HN Overlap>> 1.L122 1.I19 1.L114 1.L122 1.I19 1.L114 C Shift Assignments>> C :: 176.292 CA :: 54.464 CB :: 39.691 CG :: 24.610 CD1 :: 22.861 CD2 :: 22.645 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 :: 7.966 HA :: 4.313 HB2 :: 1.946 HB3 :: 1.808 HG :: 1.696 HD11 :: 1.002 HD12 :: 1.002 HD13 :: 1.002 HD21 :: 1.039 HD22 :: 1.039 HD23 :: 1.039 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 :: 119.635 Ave N Shift Values>> N :: 121.86(3.9) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.27 R 0.17 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.662 CA :: 44.335 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.285 HA2 :: 4.041 HA3 :: 3.879 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.739 Ave N Shift Values>> N :: 109.67(3.87) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 L 0.47 C Shift Assignments>> C :: 175.261 CA :: 54.026 CB :: 39.437 CG :: 24.566 CD1 :: 22.864 CD2 :: 22.662 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 :: 8.257 HA :: 4.297 HB2 :: 1.908 HB3 :: 1.908 HG :: 1.695 HD11 :: 0.961 HD12 :: 0.961 HD13 :: 0.961 HD21 :: 1.001 HD22 :: 1.001 HD23 :: 1.001 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 :: 120.336 Ave N Shift Values>> N :: 121.86(3.9) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.29 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 175.766 CA :: 51.176 CB :: 16.118 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.978 HA :: 4.323 HB1 :: 1.581 HB2 :: 1.581 HB3 :: 1.581 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.945 Ave N Shift Values>> N :: 123.23(3.54) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 M 0.04 D 0.04 Y 0.03 F 0.03 E 0.02 HN Overlap>> 1.S147 1.S147 C Shift Assignments>> C :: 173.070 CA :: 51.344 CB :: 37.124 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 :: 7.990 HA :: 4.882 HB2 :: 2.885 HB3 :: 3.034 HD21 :: 7.677 HD22 :: 7.051 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.656 ND2 :: 112.810 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 I 0.16 A 0.01 HN Overlap>> 1.K15 1.K15 1.F126 1.F126 C Shift Assignments>> C :: 173.532 CA :: 60.675 CB :: 29.437 CG1 :: 18.879 CG2 :: 19.090 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 :: 7.847 HA :: 4.204 HB :: 2.377 HG11 :: 1.141 HG12 :: 1.141 HG13 :: 1.141 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.500 Ave N Shift Values>> N :: 121.14(4.54) 1.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.15 L 0.12 M 0.1 H 0.08 N 0.08 Q 0.07 R 0.07 A 0.06 K 0.06 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 HN Overlap>> 1.A45 1.L42 1.A45 1.L42 C Shift Assignments>> C :: 174.499 CA :: 54.903 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 :: 8.413 HA :: 4.325 HB2 :: 2.223 HB3 :: 2.256 HG2 :: 2.537 HG3 :: 2.537 HE21 :: 7.540 HE22 :: 6.878 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.365 NE2 :: 111.568 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.09 D 0.06 F 0.05 Y 0.03 K 0.02 HN Overlap>> 1.G90 1.G90 C Shift Assignments>> C :: 172.039 CA :: 43.511 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.458 HA2 :: 4.055 HA3 :: 4.055 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.529 Ave N Shift Values>> N :: 109.67(3.87) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 L 0.22 HN Overlap>> 1.L106 1.L122 1.L106 1.L122 C Shift Assignments>> C :: 175.487 CA :: 53.536 CB :: 39.129 CG :: 26.712 CD1 :: 21.408 CD2 :: 22.813 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 :: 7.985 HA :: 4.358 HB2 :: 1.930 HB3 :: 1.886 HG :: 1.765 HD11 :: 0.998 HD12 :: 0.998 HD13 :: 0.998 HD21 :: 1.064 HD22 :: 1.064 HD23 :: 1.064 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 :: 119.567 Ave N Shift Values>> N :: 121.86(3.9) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.187 CA :: 58.474 CB :: 60.210 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.341 HA :: 4.274 HB2 :: 4.105 HB3 :: 4.105 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.037 Ave N Shift Values>> N :: 116.28(3.52) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 I 0.35 HN Overlap>> 1.L59 1.K140 1.L59 1.K140 C Shift Assignments>> C :: 174.175 CA :: 61.861 CB :: 28.999 CG1 :: 18.985 CG2 :: 18.739 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 :: 7.904 HA :: 4.088 HB :: 2.342 HG11 :: 1.146 HG12 :: 1.146 HG13 :: 1.146 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 120.037 Ave N Shift Values>> N :: 121.14(4.54) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 A 0.25 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> C :: 175.132 CA :: 54.155 CB :: 39.003 CG :: 26.606 CD1 :: 22.673 CD2 :: 23.094 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 :: 7.772 HA :: 4.214 HB2 :: 1.958 HB3 :: 1.879 HG :: 1.759 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 HD21 :: 1.068 HD22 :: 1.068 HD23 :: 1.068 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 :: 118.998 Ave N Shift Values>> N :: 121.86(3.9) 1.R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 K 0.28 I 0.05 R 0.02 C Shift Assignments>> C :: 174.692 CA :: 55.211 CB :: 27.619 CD :: 41.006 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 :: 7.813 HA :: 4.288 HB2 :: 2.092 HB3 :: 2.092 HG2 :: 2.000 HG3 :: 2.000 HD2 :: 3.347 HD3 :: 3.347 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 :: 115.880 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.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T60 1.T60 C Shift Assignments>> C :: 172.061 CA :: 57.067 CB :: 61.135 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.901 HA :: 4.500 HB2 :: 4.043 HB3 :: 4.004 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.880 Ave N Shift Values>> N :: 116.28(3.52) 1.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 M 0.17 Y 0.12 N 0.07 F 0.07 K 0.06 Q 0.03 I 0.02 C Shift Assignments>> C :: 173.618 CA :: 55.933 CB :: 36.252 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 :: 7.958 HA :: 4.635 HB2 :: 3.307 HB3 :: 3.307 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.553 Ave N Shift Values>> N :: 120.45(4.18) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 K 0.25 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 174.680 CA :: 54.799 CB :: 27.186 CG :: 24.745 CD :: 41.076 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 :: 8.171 HA :: 4.300 HB2 :: 1.978 HB3 :: 1.978 HG2 :: 1.782 HG3 :: 1.782 HD2 :: 3.348 HD3 :: 3.348 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.906 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.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.12 L 0.11 A 0.09 M 0.09 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.02 HN Overlap>> 1.L106 1.L106 1.I19 1.L114 1.I19 1.L114 C Shift Assignments>> C :: 175.082 CA :: 54.464 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.967 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 :: 119.602 Ave N Shift Values>> N :: 121.86(3.9) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 A 0.2 HN Overlap>> 1.N18 1.N18 C Shift Assignments>> C :: 175.841 CA :: 54.644 CB :: 39.361 CG :: 26.716 CD1 :: 22.723 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 :: 8.037 HA :: 4.244 HB2 :: 1.938 HB3 :: 1.938 HG :: 1.799 HD11 :: 1.029 HD12 :: 1.029 HD13 :: 1.029 HD21 :: 1.029 HD22 :: 1.029 HD23 :: 1.029 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 :: 116.677 Ave N Shift Values>> N :: 121.86(3.9) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 K 0.32 C Shift Assignments>> C :: 175.433 CA :: 55.856 CB :: 27.373 CG :: 24.895 CD :: 41.007 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 :: 7.908 HA :: 4.244 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 1.825 HG3 :: 1.825 HD2 :: 3.347 HD3 :: 3.347 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.717 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.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 V 0.04 C Shift Assignments>> C :: 173.854 CA :: 62.402 CB :: 28.936 CG1 :: 18.765 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 :: 7.713 HA :: 3.912 HB :: 2.261 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.613 Ave N Shift Values>> N :: 121.14(4.54) 1.F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 Y 0.15 M 0.12 F 0.08 I 0.06 K 0.06 Q 0.03 N 0.01 V 0.01 HN Overlap>> 1.K15 1.V111 1.K15 1.V111 C Shift Assignments>> C :: 173.854 CA :: 57.402 CB :: 36.278 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 :: 7.810 HA :: 4.434 HB2 :: 3.360 HB3 :: 3.231 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.510 Ave N Shift Values>> N :: 120.45(4.18) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 A 0.25 L 0.25 V 0.13 R 0.01 HN Overlap>> 1.I20 1.M74 1.I20 1.M74 C Shift Assignments>> C :: 175.675 CA :: 55.804 CB :: 29.692 CG :: 22.688 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 :: 7.911 HA :: 4.247 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 1.683 HG3 :: 1.683 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.114 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 L 0.43 C Shift Assignments>> C :: 175.651 CA :: 54.283 CB :: 39.571 CG :: 24.742 CD1 :: 22.571 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 :: 7.883 HA :: 4.159 HB2 :: 1.912 HB3 :: 1.890 HG :: 1.678 HD11 :: 1.030 HD12 :: 1.030 HD13 :: 1.030 HD21 :: 1.030 HD22 :: 1.030 HD23 :: 1.030 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 :: 119.795 Ave N Shift Values>> N :: 121.86(3.9) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.35 HN Overlap>> 1.I93 1.E53 1.I93 1.E53 C Shift Assignments>> C :: 175.197 CA :: 51.629 CB :: 15.993 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.026 HA :: 4.009 HB1 :: 1.479 HB2 :: 1.479 HB3 :: 1.479 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.557 Ave N Shift Values>> N :: 123.23(3.54) 1.K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.18 R 0.17 W 0.15 E 0.13 M 0.08 K 0.04 C Shift Assignments>> C :: 174.166 CA :: 54.954 CB :: 29.808 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 :: 7.738 HA :: 4.236 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 :: 114.250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.395 CA :: 56.036 CB :: 61.514 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.808 HA :: 4.614 HB2 :: 4.052 HB3 :: 4.052 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.199 Ave N Shift Values>> N :: 116.28(3.52) 1.W132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 53.098 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 :: 8.073 HA :: 5.186 HB2 :: 3.631 HB3 :: 3.415 HD1 :: 7.480 HE1 :: 10.283 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 :: 124.429 NE1 :: 128.998 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.67 P 0.32 C Shift Assignments>> C :: 175.448 CA :: 62.798 CB :: 29.012 CG :: 25.349 CD :: 48.331 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 :: 4.492 HB2 :: 2.460 HB3 :: 2.460 HG2 :: 2.118 HG3 :: 2.248 HD2 :: 4.330 HD3 :: 3.957 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.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 S 0.44 C Shift Assignments>> C :: 172.813 CA :: 62.632 CB :: 66.189 CG2 :: 19.685 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 :: 7.392 HA :: 4.042 HB :: 3.473 HG21 :: 1.217 HG22 :: 1.217 HG23 :: 1.217 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 :: 112.444 Ave N Shift Values>> N :: 115.42(4.75) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 L 0.47 C Shift Assignments>> C :: 175.508 CA :: 55.345 CB :: 38.937 CD1 :: 22.291 CD2 :: 21.960 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 :: 7.547 HA :: 4.093 HD11 :: 1.070 HD12 :: 1.070 HD13 :: 1.070 HD21 :: 1.099 HD22 :: 1.099 HD23 :: 1.099 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 :: 120.718 Ave N Shift Values>> N :: 121.86(3.9) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 E 0.26 M 0.19 Y 0.08 K 0.05 F 0.05 Q 0.03 D 0.01 HN Overlap>> 1.Y84 1.Y84 C Shift Assignments>> C :: 174.778 CA :: 54.180 CB :: 36.248 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 :: 8.151 HA :: 4.387 HB2 :: 2.794 HB3 :: 2.794 HD21 :: 7.485 HD22 :: 6.915 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 :: 116.300 ND2 :: 111.473 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 R 0.37 M 0.16 HN Overlap>> 1.I20 1.M74 1.V58 1.I20 1.M74 1.V58 C Shift Assignments>> C :: 175.272 CA :: 55.830 CB :: 29.558 CG :: 29.553 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 :: 7.935 HA :: 4.255 HB2 :: 2.305 HB3 :: 2.305 HG2 :: 2.657 HG3 :: 2.657 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.229 Ave N Shift Values>> N :: 120.09(3.57) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 L 0.47 HN Overlap>> 1.L14 1.L78 1.L14 1.L78 C Shift Assignments>> C :: 175.798 CA :: 55.546 CB :: 39.250 CG :: 26.716 CD1 :: 21.462 CD2 :: 22.548 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 :: 7.874 HA :: 4.148 HB2 :: 1.961 HB3 :: 1.961 HG :: 1.779 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 HD21 :: 1.066 HD22 :: 1.066 HD23 :: 1.066 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 :: 119.197 Ave N Shift Values>> N :: 121.86(3.9) 1.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.605 CA :: 62.556 CB :: 35.002 CG1 :: 24.895 CG2 :: 15.088 CD1 :: 10.434 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 :: 8.234 HA :: 3.720 HB :: 2.123 HG12 :: 1.842 HG13 :: 1.842 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 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 :: 117.809 Ave N Shift Values>> N :: 121.46(4.28) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 E 0.17 W 0.17 H 0.17 R 0.15 M 0.05 K 0.03 I 0.02 HN Overlap>> 1.V116 1.V116 C Shift Assignments>> C :: 176.496 CA :: 56.912 CB :: 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 :: 7.824 HA :: 4.149 HB2 :: 2.097 HB3 :: 2.097 HG2 :: 1.572 HG3 :: 1.572 HD2 :: 1.709 HD3 :: 1.709 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 :: 120.044 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V75 1.V75 C Shift Assignments>> C :: 176.121 CA :: 62.247 CB :: 35.564 CG1 :: 24.534 CD1 :: 11.06 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 :: 8.083 HA :: 3.976 HB :: 2.118 HG12 :: 1.924 HG13 :: 1.924 HG21 :: 1.040 HG22 :: 1.040 HG23 :: 1.040 HD11 :: 0.968 HD12 :: 0.968 HD13 :: 0.968 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 :: 118.820 Ave N Shift Values>> N :: 121.46(4.28) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 I 0.13 HN Overlap>> 1.E105 1.E105 C Shift Assignments>> C :: 175.852 CA :: 62.170 CB :: 35.189 CG1 :: 24.604 CG2 :: 20.741 CD1 :: 15.25 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 :: 8.291 HA :: 3.873 HB :: 2.075 HG12 :: 1.881 HG13 :: 1.881 HG21 :: 0.953 HG22 :: 0.953 HG23 :: 0.953 HD11 :: 1.025 HD12 :: 1.025 HD13 :: 1.025 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.382 Ave N Shift Values>> N :: 121.46(4.28) 1.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.3 R 0.23 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.394 CA :: 44.155 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.543 HA2 :: 4.052 HA3 :: 4.052 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.283 Ave N Shift Values>> N :: 109.67(3.87) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 M 0.09 E 0.05 Y 0.03 F 0.02 D 0.02 K 0.01 HN Overlap>> 1.D26 1.N8 1.V104 1.D26 1.N8 1.V104 C Shift Assignments>> C :: 173.962 CA :: 51.500 CB :: 36.565 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 :: 8.071 HA :: 4.884 HB2 :: 2.993 HB3 :: 2.993 HD21 :: 7.769 HD22 :: 7.000 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 :: 118.443 ND2 :: 112.469 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.006 CA :: 58.098 CB :: 61.260 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.146 HA :: 4.452 HB2 :: 4.081 HB3 :: 4.081 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 :: 115.909 Ave N Shift Values>> N :: 116.28(3.52) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.1 D 0.06 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 171.953 CA :: 43.536 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.478 HA2 :: 4.052 HA3 :: 4.052 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.260 Ave N Shift Values>> N :: 109.67(3.87) 1.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N110 1.N110 C Shift Assignments>> C :: 172.329 CA :: 56.629 CB :: 61.072 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.078 HA :: 4.441 HB2 :: 3.955 HB3 :: 3.955 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 :: 114.720 Ave N Shift Values>> N :: 116.28(3.52) 1.H148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.17 P 0.16 I 0.16 K 0.11 Q 0.04 W 0.02 H 0.02 E 0.01 HN Overlap>> 1.N63 1.N63 1.L76 1.L76 C Shift Assignments>> CB :: 26.181 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 :: 8.259 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.777 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 150 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 135 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 16 Shift Relative Order (SRO) Results: #Consistent: 152 #Suspicious: 0 C Shift Results: #Consistent: 498 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 881 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 148 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E73 CG = 32.101(S), Expected = 36.11, Std = 1.1900, ChiSquare = 7.5467e-04 1.E105 Typing: Mistyped 1.E105 CG = 32.101(S), Expected = 36.11, Std = 1.1900, ChiSquare = 7.5467e-04