F1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.56 D 0.21 Y 0.08 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 174.911 CA :: 52.823 CB :: 38.716 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.833 HB2 :: 2.802 HB3 :: 2.958 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.29 M 0.04 G 0.01 C Shift Assignments>> C :: 177.361 CA :: 57.520 CB :: 32.940 CG :: 24.910 CD :: 29.184 CE :: 42.118 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.690 HA :: 4.413 HB2 :: 1.760 HB3 :: 1.883 HG2 :: 1.525 HD2 :: 1.716 HE2 :: 2.983 HE3 :: 3.095 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.863 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.39 M 0.03 G 0.01 C Shift Assignments>> C :: 177.675 CA :: 57.770 CB :: 32.090 CG :: 24.580 CD :: 28.474 CE :: 42.045 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.421 HA :: 4.300 HB2 :: 1.819 HB3 :: 1.900 HG2 :: 1.466 HG3 :: 1.526 HD2 :: 1.724 HE2 :: 3.035 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.631 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.03 V 0.01 C Shift Assignments>> C :: 179.874 CA :: 55.280 CB :: 18.440 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.275 HA :: 3.932 HB :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.762 Ave N Shift Values>> N :: 123.23(3.7) D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.17 L 0.14 K 0.09 N 0.04 I 0.04 R 0.01 HN Overlap>> E88 C Shift Assignments>> C :: 178.221 CA :: 56.650 CB :: 40.300 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.000 HA :: 4.499 HB2 :: 2.772 HB3 :: 2.772 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.832 Ave N Shift Values>> N :: 120.73(4.2) E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.25 K 0.09 M 0.06 Q 0.03 C Shift Assignments>> C :: 178.866 CA :: 59.010 CB :: 29.940 CG :: 36.425 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.148 HA :: 4.112 HB2 :: 2.091 HB3 :: 2.171 HG2 :: 2.280 HG3 :: 2.449 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.345 Ave N Shift Values>> N :: 120.68(3.68) N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.8 D 0.16 E 0.02 HN Overlap>> S105 C Shift Assignments>> C :: 178.843 CA :: 55.320 CB :: 37.210 CG :: 176.544 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.572 HA :: 4.556 HB2 :: 2.873 HB3 :: 3.042 HD21 :: 7.953 HD22 :: 7.097 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.568 ND2 :: 109.952 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.2 M 0.04 G 0.01 C Shift Assignments>> C :: 178.531 CA :: 59.650 CB :: 32.960 CG :: 24.634 CD :: 29.518 CE :: 41.903 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.772 HA :: 4.349 HB2 :: 1.938 HB3 :: 2.228 HG2 :: 1.456 HG3 :: 1.528 HD2 :: 1.712 HE2 :: 3.015 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.781 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.319 CA :: 66.030 CB :: 32.060 CG1 :: 20.966 CG2 :: 22.078 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.760 HA :: 3.901 HB :: 2.231 HG1 :: 1.067 HG2 :: 1.167 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.607 Ave N Shift Values>> N :: 121.02(4.96) K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.29 G 0.03 C Shift Assignments>> C :: 180.390 CA :: 59.680 CB :: 32.600 CD :: 25.568 CE :: 41.925 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.513 HA :: 4.219 HB2 :: 1.933 HB3 :: 2.027 HG2 :: 1.810 HD2 :: 1.565 HD3 :: 1.773 HE2 :: 3.039 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.739 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 P 0.26 A 0.11 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 175.802 CA :: 48.020 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.414 HA2 :: 3.977 HA3 :: 4.402 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.365 Ave N Shift Values>> N :: 109.91(4.29) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 E 0.44 K 0.07 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.797 CA :: 59.660 CB :: 29.040 CG :: 36.777 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.185 HA :: 4.179 HB2 :: 2.124 HB3 :: 2.216 HG2 :: 2.379 HG3 :: 2.588 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.915 Ave N Shift Values>> N :: 120.68(3.68) A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.32 I 0.05 C Shift Assignments>> C :: 180.402 CA :: 55.310 CB :: 17.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.338 HA :: 4.223 HB :: 1.609 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.152 Ave N Shift Values>> N :: 123.23(3.7) F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.46 C Shift Assignments>> C :: 174.677 CA :: 61.630 CB :: 39.340 CD1 :: 132.223 CE1 :: 130.376 CZ :: 129.490 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.110 HA :: 4.244 HB2 :: 3.416 HD1 :: 7.223 HE1 :: 7.201 HZ :: 6.811 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.571 Ave N Shift Values>> N :: 120.69(4.18) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.19 A 0.04 HN Overlap>> I125 C Shift Assignments>> C :: 179.622 CA :: 57.990 CB :: 40.660 CG :: 27.653 CD1 :: 26.739 CD2 :: 21.711 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.476 HA :: 3.781 HB2 :: 1.564 HB3 :: 2.067 HG :: 2.155 HD1 :: 1.049 HD2 :: 0.867 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.137 Ave N Shift Values>> N :: 121.98(4.07) T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.528 CA :: 66.900 CB :: 68.580 CG2 :: 21.465 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.293 HA :: 4.309 HB :: 4.309 HG2 :: 1.238 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.438 Ave N Shift Values>> N :: 115.7(5.05) E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.17 K 0.16 Q 0.08 M 0.05 C Shift Assignments>> C :: 179.266 CA :: 58.340 CB :: 29.410 CG :: 36.061 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.520 HA :: 4.061 HB2 :: 1.930 HB3 :: 1.999 HG2 :: 2.171 HG3 :: 2.278 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.657 Ave N Shift Values>> N :: 120.68(3.68) N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.18 N 0.17 E 0.15 D 0.08 I 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 176.197 CA :: 55.940 CB :: 37.950 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.330 HA :: 3.880 HB3 :: 2.633 HD22 :: 7.867 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.605 ND2 :: 113.091 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.27 M 0.11 G 0.01 C Shift Assignments>> C :: 175.719 CA :: 58.230 CB :: 32.110 CG :: 23.745 CD :: 29.764 CE :: 42.037 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.993 HA :: 3.652 HB2 :: 1.714 HB3 :: 1.808 HG2 :: 1.400 HG3 :: 1.491 HD2 :: 1.668 HE2 :: 2.965 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 111.770 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.45 C Shift Assignments>> C :: 175.616 CA :: 52.540 CB :: 39.330 CG :: 177.812 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.060 HA :: 4.841 HB2 :: 2.647 HB3 :: 2.982 HD21 :: 7.529 HD22 :: 6.830 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.639 ND2 :: 111.257 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.41 G 0.04 M 0.01 C Shift Assignments>> CA :: 54.700 CB :: 30.650 CG :: 25.738 CD :: 28.746 CE :: 42.692 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.479 HA :: 4.415 HB2 :: 1.692 HB3 :: 1.850 HG2 :: 1.356 HG3 :: 1.557 HD2 :: 1.624 HE2 :: 2.920 HE3 :: 2.851 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.024 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.126 CA :: 63.949 CB :: 31.788 CG :: 27.651 CD :: 50.214 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.272 HB2 :: 1.865 HB3 :: 2.289 HG2 :: 2.052 HG3 :: 2.131 HD2 :: 3.592 HD3 :: 3.864 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 173.311 CA :: 45.230 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.754 HA2 :: 3.638 HA3 :: 4.088 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.697 Ave N Shift Values>> N :: 109.91(4.29) V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.746 CA :: 63.720 CB :: 31.620 CG1 :: 21.805 CG2 :: 23.210 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.144 HA :: 4.086 HB :: 1.791 HG1 :: 0.501 HG2 :: 0.623 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.493 Ave N Shift Values>> N :: 121.02(4.96) V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.217 CA :: 61.510 CB :: 32.730 CG1 :: 21.363 CG2 :: 20.958 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.244 HA :: 3.852 HG1 :: 0.563 HG2 :: 0.518 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 133.135 Ave N Shift Values>> N :: 121.02(4.96) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.103 CA :: 61.090 CB :: 33.000 CG1 :: 21.910 CG2 :: 21.464 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.257 HA :: 4.489 HB :: 1.948 HG1 :: 0.909 HG2 :: 0.980 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.300 Ave N Shift Values>> N :: 121.02(4.96) L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 A 0.31 R 0.05 C Shift Assignments>> CA :: 53.220 CB :: 40.790 CG :: 27.653 CD1 :: 22.278 CD2 :: 25.738 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.966 HA :: 4.862 HB2 :: 1.932 HB3 :: 2.060 HG :: 1.763 HD1 :: 1.132 HD2 :: 1.032 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.808 Ave N Shift Values>> N :: 121.98(4.07) P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.480 CA :: 65.596 CB :: 31.747 CG :: 27.607 CD :: 50.348 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.313 HB2 :: 1.980 HB3 :: 2.440 HG2 :: 2.111 HG3 :: 2.243 HD2 :: 3.939 HD3 :: 4.009 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.524 CA :: 58.870 CB :: 63.050 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.457 HA :: 4.182 HB2 :: 4.032 HB3 :: 4.032 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.761 Ave N Shift Values>> N :: 116.3(3.95) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.27 R 0.26 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.565 CA :: 44.200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.335 HA2 :: 3.535 HA3 :: 4.527 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.540 Ave N Shift Values>> N :: 109.91(4.29) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.24 G 0.05 K 0.01 C Shift Assignments>> C :: 174.063 CA :: 56.560 CB :: 42.820 CG :: 27.106 CD1 :: 26.160 CD2 :: 25.469 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.735 HA :: 4.204 HB2 :: 1.473 HB3 :: 1.835 HG :: 1.822 HD1 :: 1.108 HD2 :: 1.257 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.969 Ave N Shift Values>> N :: 121.98(4.07) Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 Q 0.23 K 0.11 E 0.03 R 0.01 C Shift Assignments>> C :: 176.263 CA :: 52.000 CB :: 31.120 CG :: 33.078 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.138 HB2 :: 1.972 HB3 :: 2.275 HG2 :: 2.273 HG3 :: 2.754 HE21 :: 7.451 HE22 :: 6.942 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.517 NE2 :: 108.946 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 G 0.32 HN Overlap>> I101 C Shift Assignments>> C :: 171.444 CA :: 56.670 CB :: 43.470 CD1 :: 132.409 CE1 :: 117.111 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.307 HA :: 5.946 HB2 :: 2.949 HB3 :: 2.949 HD1 :: 6.024 HE1 :: 6.093 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.460 Ave N Shift Values>> N :: 120.79(4.69) K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 K 0.16 G 0.03 M 0.01 C Shift Assignments>> C :: 174.845 CA :: 55.040 CB :: 38.040 CG :: 25.051 CD :: 29.904 CE :: 42.142 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.456 HA :: 4.661 HB2 :: 1.743 HB3 :: 1.939 HG2 :: 1.212 HG3 :: 1.312 HD2 :: 1.674 HE2 :: 2.878 HE3 :: 2.983 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.513 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.170 CA :: 64.210 CB :: 31.730 CG1 :: 21.650 CG2 :: 20.270 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.008 HA :: 3.559 HB :: 1.941 HG1 :: 0.916 HG2 :: 0.439 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.579 Ave N Shift Values>> N :: 121.02(4.96) I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.250 CA :: 62.540 CB :: 37.150 CG1 :: 27.593 CG2 :: 16.615 CD1 :: 11.704 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.513 HA :: 4.219 HB :: 1.769 HG2 :: 0.955 HG12 :: 1.460 HG13 :: 1.357 HD1 :: 0.795 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.730 Ave N Shift Values>> N :: 121.6(4.72) N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.61 N 0.33 G 0.04 C Shift Assignments>> C :: 174.281 CA :: 53.360 CB :: 42.300 CG :: 176.078 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.731 HA :: 5.066 HB2 :: 2.787 HB3 :: 2.875 HD21 :: 7.451 HD22 :: 6.865 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.645 ND2 :: 112.320 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.377 CA :: 58.310 CB :: 64.090 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.060 HA :: 4.923 HB2 :: 3.937 HB3 :: 4.020 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.264 Ave N Shift Values>> N :: 116.3(3.95) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.3 G 0.11 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.703 CA :: 43.540 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.148 HA2 :: 3.552 HA3 :: 4.441 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.536 Ave N Shift Values>> N :: 109.91(4.29) N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.3 L 0.06 Y 0.06 F 0.06 C Shift Assignments>> C :: 175.941 CA :: 52.270 CB :: 39.600 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.446 HA :: 5.046 HB2 :: 2.873 HB3 :: 2.873 HD21 :: 7.529 HD22 :: 6.830 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.020 ND2 :: 111.314 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.23 R 0.19 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.194 CA :: 44.450 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.181 HA2 :: 3.819 HA3 :: 4.433 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.411 Ave N Shift Values>> N :: 109.91(4.29) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.428 CA :: 61.740 CB :: 32.580 CG1 :: 19.597 CG2 :: 20.974 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.002 HA :: 4.091 HB :: 2.094 HG1 :: 0.900 HG2 :: 0.946 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.351 Ave N Shift Values>> N :: 121.02(4.96) K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.22 M 0.06 G 0.02 C Shift Assignments>> CA :: 53.030 CB :: 32.330 CG :: 24.918 CD :: 29.566 CE :: 42.145 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.051 HA :: 5.089 HB2 :: 1.441 HB3 :: 1.580 HG2 :: 0.755 HG3 :: 1.380 HD2 :: 1.551 HD3 :: 1.655 HE2 :: 2.912 HE3 :: 2.912 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.309 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.829 CA :: 62.345 CB :: 32.744 CG :: 27.719 CD :: 51.169 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.499 HB2 :: 1.964 HG2 :: 1.595 HG3 :: 1.785 HD2 :: 3.779 HD3 :: 4.232 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 G 0.06 K 0.06 D 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 175.268 CA :: 43.240 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.397 HA2 :: 3.713 HA3 :: 4.476 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.568 Ave N Shift Values>> N :: 109.91(4.29) K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.21 M 0.03 HN Overlap>> T76 C Shift Assignments>> C :: 176.288 CA :: 59.610 CB :: 32.560 CG :: 24.984 CD :: 29.290 CE :: 41.743 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.138 HA :: 3.675 HB2 :: 1.766 HB3 :: 1.766 HG2 :: 1.390 HD2 :: 1.675 HE2 :: 2.982 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.614 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.852 CA :: 57.110 CB :: 63.960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.248 HA :: 4.814 HB2 :: 3.940 HB3 :: 4.024 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.635 Ave N Shift Values>> N :: 116.3(3.95) D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.21 K 0.2 R 0.11 F 0.09 Y 0.07 N 0.03 HN Overlap>> V114 C Shift Assignments>> C :: 174.758 CA :: 55.060 CB :: 41.890 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.251 HA :: 4.834 HB2 :: 2.688 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.102 Ave N Shift Values>> N :: 120.73(4.2) T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.911 CA :: 62.770 CB :: 70.440 CG2 :: 21.469 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.459 HA :: 4.857 HB :: 3.930 HG2 :: 1.027 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.088 Ave N Shift Values>> N :: 115.7(5.05) V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 A 0.21 I 0.2 C Shift Assignments>> C :: 173.607 CA :: 58.260 CB :: 34.460 CG1 :: 18.614 CG2 :: 23.143 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.148 HA :: 5.185 HB :: 1.981 HG1 :: 0.714 HG2 :: 0.866 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.023 Ave N Shift Values>> N :: 121.02(4.96) T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.980 CA :: 61.630 CB :: 70.290 CG2 :: 21.545 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.987 HA :: 5.335 HB :: 3.838 HG2 :: 1.055 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.207 Ave N Shift Values>> N :: 115.7(5.05) V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 A 0.09 I 0.07 C Shift Assignments>> C :: 174.850 CA :: 58.530 CB :: 36.060 CG1 :: 20.225 CG2 :: 22.044 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.563 HA :: 5.556 HB :: 2.377 HG1 :: 1.279 HG2 :: 0.989 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.362 Ave N Shift Values>> N :: 121.02(4.96) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 E 0.43 Q 0.01 I 0.01 HN Overlap>> Y55 C Shift Assignments>> C :: 176.167 CA :: 54.660 CB :: 32.850 CG :: 36.696 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.737 HA :: 5.083 HB2 :: 2.118 HG2 :: 2.253 HG3 :: 2.368 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.738 Ave N Shift Values>> N :: 120.68(3.68) Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.86 G 0.13 HN Overlap>> E54 C Shift Assignments>> C :: 173.749 CA :: 57.150 CB :: 42.880 CD1 :: 132.758 CE1 :: 118.266 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.762 HA :: 6.251 HB2 :: 3.388 HB3 :: 3.478 HD1 :: 7.083 HE1 :: 6.808 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.639 Ave N Shift Values>> N :: 120.79(4.69) T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.761 CA :: 62.720 CB :: 72.620 CG2 :: 20.455 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.763 HA :: 4.904 HB :: 4.047 HG2 :: 1.342 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.614 Ave N Shift Values>> N :: 115.7(5.05) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 170.466 CA :: 45.150 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.402 HA3 :: 4.728 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.466 Ave N Shift Values>> N :: 109.91(4.29) R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 R 0.09 K 0.08 C Shift Assignments>> C :: 174.390 CA :: 53.580 CB :: 35.330 CG :: 27.645 CD :: 44.070 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.456 HA :: 5.433 HB2 :: 1.441 HG2 :: 1.349 HG3 :: 1.479 HD2 :: 2.912 HD3 :: 3.093 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.579 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 A 0.11 R 0.05 G 0.02 HN Overlap>> S67 C Shift Assignments>> C :: 180.417 CA :: 52.710 CB :: 42.130 CG :: 27.106 CD1 :: 25.200 CD2 :: 22.731 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.362 HA :: 4.893 HB2 :: 1.985 HB3 :: 2.065 HG :: 1.874 HD1 :: 1.010 HD2 :: 0.825 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.805 Ave N Shift Values>> N :: 121.98(4.07) I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.083 CA :: 65.140 CB :: 37.680 CG1 :: 26.445 CG2 :: 15.339 CD1 :: 17.155 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.486 HA :: 3.375 HB :: 1.575 HG2 :: 0.849 HG12 :: 0.946 HG13 :: 1.253 HD1 :: 0.523 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.196 Ave N Shift Values>> N :: 121.6(4.72) D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.31 L 0.11 F 0.09 Y 0.08 K 0.02 C Shift Assignments>> C :: 177.027 CA :: 53.460 CB :: 40.020 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.514 HA :: 4.509 HB2 :: 2.621 HB3 :: 3.122 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.113 Ave N Shift Values>> N :: 120.73(4.2) G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.665 CA :: 44.830 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.039 HA2 :: 3.578 HA3 :: 4.486 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.488 Ave N Shift Values>> N :: 109.91(4.29) T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.162 CA :: 64.830 CB :: 69.160 CG2 :: 20.409 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.184 HA :: 3.868 HB :: 4.090 HG2 :: 1.178 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.668 Ave N Shift Values>> N :: 115.7(5.05) V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.640 CA :: 62.520 CB :: 32.310 CG1 :: 21.910 CG2 :: 21.305 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.850 HA :: 4.291 HB :: 2.043 HG1 :: 1.007 HG2 :: 0.906 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.893 Ave N Shift Values>> N :: 121.02(4.96) F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 F 0.43 C Shift Assignments>> C :: 174.932 CA :: 56.010 CB :: 40.550 CD1 :: 132.263 CE1 :: 132.022 CE2 :: 132.391 CZ :: 129.798 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.206 HA :: 5.092 HB2 :: 2.556 HB3 :: 3.421 HD1 :: 7.010 HE1 :: 7.007 HZ :: 6.567 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.920 Ave N Shift Values>> N :: 120.69(4.18) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.25 D 0.15 K 0.1 F 0.05 G 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 174.439 CA :: 54.610 CB :: 43.040 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.143 HA :: 4.909 HB2 :: 3.185 HB3 :: 3.629 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.575 Ave N Shift Values>> N :: 120.73(4.2) S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> L59 T87 C Shift Assignments>> C :: 175.700 CA :: 56.770 CB :: 64.650 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.362 HA :: 5.106 HB2 :: 3.661 HB3 :: 4.211 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.715 Ave N Shift Values>> N :: 116.3(3.95) T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.939 CA :: 64.070 CB :: 68.310 CG2 :: 23.420 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.896 HA :: 4.409 HB :: 4.581 HG2 :: 1.239 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.668 Ave N Shift Values>> N :: 115.7(5.05) E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.24 K 0.11 M 0.04 Q 0.03 C Shift Assignments>> C :: 178.145 CA :: 58.690 CB :: 29.570 CG :: 36.457 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.352 HA :: 4.063 HB2 :: 1.913 HB3 :: 1.997 HG2 :: 2.176 HG3 :: 2.240 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.614 Ave N Shift Values>> N :: 120.68(3.68) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.32 M 0.03 G 0.01 C Shift Assignments>> C :: 178.067 CA :: 58.580 CB :: 32.220 CG :: 25.023 CD :: 28.964 CE :: 41.976 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.466 HA :: 4.167 HB2 :: 2.028 HG2 :: 1.551 HD2 :: 1.802 HE2 :: 3.063 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.311 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.513 CA :: 62.360 CB :: 69.950 CG2 :: 22.067 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.575 HA :: 4.387 HB :: 4.354 HG2 :: 1.344 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.501 Ave N Shift Values>> N :: 115.7(5.05) G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.476 CA :: 45.870 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.067 HA2 :: 3.820 HA3 :: 4.162 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.801 Ave N Shift Values>> N :: 109.91(4.29) K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.17 M 0.02 G 0.02 C Shift Assignments>> CA :: 53.120 CB :: 33.940 CG :: 24.650 CD :: 29.017 CE :: 42.145 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.656 HA :: 4.898 HB2 :: 1.692 HB3 :: 1.874 HG2 :: 1.440 HD2 :: 1.754 HE2 :: 3.043 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.670 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.412 CA :: 62.640 CB :: 32.996 CG :: 26.693 CD :: 50.379 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.547 HB2 :: 1.696 HB3 :: 2.023 HG2 :: 1.853 HD2 :: 3.607 HD3 :: 3.839 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.36 M 0.13 K 0.03 C Shift Assignments>> C :: 175.707 CA :: 50.920 CB :: 22.480 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.924 HA :: 4.814 HB :: 1.579 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.845 Ave N Shift Values>> N :: 123.23(3.7) T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> K47 C Shift Assignments>> C :: 173.562 CA :: 60.650 CB :: 71.610 CG2 :: 21.236 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.135 HA :: 5.567 HB :: 3.722 HG2 :: 1.027 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.689 Ave N Shift Values>> N :: 115.7(5.05) F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 C Shift Assignments>> C :: 174.237 CA :: 55.800 CB :: 40.900 CD1 :: 132.345 CE1 :: 129.817 CZ :: 128.648 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.297 HA :: 4.905 HB2 :: 2.851 HB3 :: 3.281 HD1 :: 6.889 HE1 :: 6.811 HZ :: 6.914 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.685 Ave N Shift Values>> N :: 120.69(4.18) Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 E 0.26 K 0.22 M 0.17 R 0.01 C Shift Assignments>> C :: 177.946 CA :: 55.400 CB :: 29.980 CG :: 34.674 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.714 HA :: 5.189 HB2 :: 1.776 HB3 :: 2.030 HG2 :: 2.327 HG3 :: 2.398 HE21 :: 7.396 HE22 :: 6.821 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.612 NE2 :: 110.781 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.133 CA :: 67.100 CB :: 32.030 CG1 :: 23.519 CG2 :: 24.919 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.421 HA :: 3.409 HB :: 2.304 HG1 :: 1.010 HG2 :: 1.090 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.328 Ave N Shift Values>> N :: 121.02(4.96) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.445 CA :: 59.200 CB :: 63.280 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.666 HA :: 4.349 HB2 :: 3.959 HB3 :: 4.146 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.976 Ave N Shift Values>> N :: 116.3(3.95) Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.32 E 0.21 R 0.06 M 0.03 I 0.01 C Shift Assignments>> C :: 174.270 CA :: 56.130 CB :: 28.520 CG :: 34.454 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.809 HA :: 4.344 HB2 :: 2.254 HB3 :: 2.322 HG2 :: 2.393 HG3 :: 2.465 HE21 :: 7.508 HE22 :: 6.718 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.100 NE2 :: 111.787 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 I 0.17 A 0.06 C Shift Assignments>> C :: 174.547 CA :: 58.980 CB :: 35.070 CG1 :: 18.902 CG2 :: 22.457 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.327 HA :: 4.404 HB :: 1.474 HG1 :: 0.795 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 131.719 Ave N Shift Values>> N :: 121.02(4.96) I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 V 0.06 C Shift Assignments>> CA :: 60.670 CB :: 36.190 CG1 :: 25.465 CG2 :: 19.723 CD1 :: 13.707 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.085 HA :: 4.101 HB :: 2.216 HG2 :: 0.435 HG12 :: 0.838 HG13 :: 1.540 HD1 :: 0.916 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 132.649 Ave N Shift Values>> N :: 121.6(4.72) P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.910 CA :: 66.221 CB :: 32.501 CG :: 27.470 CD :: 50.622 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.444 HB2 :: 1.940 HB3 :: 2.527 HG2 :: 2.143 HG3 :: 2.265 HD2 :: 3.505 HD3 :: 3.902 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 P 0.25 A 0.11 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 174.906 CA :: 48.010 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.355 HA2 :: 3.655 HA3 :: 4.105 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.497 Ave N Shift Values>> N :: 109.91(4.29) W86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.178 CA :: 61.880 CB :: 28.390 CD1 :: 121.842 CE3 :: 119.167 CZ2 :: 112.994 CZ3 :: 121.195 CH2 :: 124.241 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.680 HA :: 3.917 HB2 :: 2.950 HB3 :: 3.185 HD1 :: 6.297 HE3 :: 7.300 HZ2 :: 6.337 HZ3 :: 6.903 HH2 :: 6.650 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.819 NE1 :: 121.824 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> S67 C Shift Assignments>> C :: 176.079 CA :: 67.480 CB :: 69.240 CG2 :: 22.057 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.372 HA :: 3.748 HB :: 3.999 HG2 :: 1.193 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.659 Ave N Shift Values>> N :: 115.7(5.05) E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 E 0.15 I 0.12 R 0.11 K 0.11 H 0.1 Q 0.1 V 0.03 M 0.03 HN Overlap>> D6 C Shift Assignments>> C :: 177.957 CA :: 59.350 CB :: 29.510 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.076 HA :: 3.894 HB2 :: 1.968 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.832 Ave N Shift Values>> N :: 120.68(3.68) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 V 0.01 C Shift Assignments>> C :: 179.179 CA :: 55.460 CB :: 18.930 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.272 HA :: 3.710 HB :: 1.310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.554 Ave N Shift Values>> N :: 123.23(3.7) L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 L 0.36 K 0.06 G 0.04 C Shift Assignments>> C :: 178.047 CA :: 57.830 CB :: 42.580 CG :: 27.908 CD1 :: 27.650 CD2 :: 23.134 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.759 HA :: 3.621 HB2 :: 1.060 HB3 :: 1.906 HG :: 1.870 HD1 :: 1.180 HD2 :: 0.856 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 113.125 Ave N Shift Values>> N :: 121.98(4.07) Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.31 Q 0.06 I 0.04 K 0.04 C Shift Assignments>> C :: 176.335 CA :: 57.330 CB :: 31.660 CG :: 35.980 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.330 HA :: 4.376 HB2 :: 1.796 HB3 :: 2.342 HG2 :: 2.116 HG3 :: 2.502 HE21 :: 6.998 HE22 :: 6.844 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 108.579 NE2 :: 110.781 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.35 A 0.16 R 0.07 C Shift Assignments>> C :: 176.067 CA :: 54.270 CB :: 44.040 CG :: 26.137 CD1 :: 22.283 CD2 :: 26.285 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.344 HA :: 4.280 HB2 :: 1.702 HB3 :: 1.973 HG :: 1.823 HD1 :: 0.910 HD2 :: 0.999 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.191 Ave N Shift Values>> N :: 121.98(4.07) M93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 Q 0.25 M 0.21 K 0.19 C Shift Assignments>> CA :: 54.270 CB :: 35.130 CG :: 30.114 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 6.968 HA :: 3.585 HB2 :: 1.041 HB3 :: 1.412 HG3 :: 1.243 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.954 Ave N Shift Values>> N :: 120.1(3.88) P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 180.538 CA :: 61.645 CB :: 32.757 CG :: 28.160 CD :: 50.348 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.903 HB2 :: 1.292 HB3 :: 2.456 HG2 :: 1.798 HG3 :: 2.106 HD2 :: 3.663 HD3 :: 4.447 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.35 I 0.03 C Shift Assignments>> C :: 176.390 CA :: 54.850 CB :: 17.300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.643 HA :: 3.666 HB :: 1.399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.029 Ave N Shift Values>> N :: 123.23(3.7) G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 HN Overlap>> G116 C Shift Assignments>> C :: 175.637 CA :: 44.760 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.528 HA2 :: 4.002 HA3 :: 4.682 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.602 Ave N Shift Values>> N :: 109.91(4.29) S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.279 CA :: 59.320 CB :: 64.900 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.818 HA :: 4.749 HB2 :: 3.549 HB3 :: 4.176 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.384 Ave N Shift Values>> N :: 116.3(3.95) T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.681 CA :: 62.090 CB :: 70.070 CG2 :: 20.570 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.390 HA :: 5.939 HB :: 4.025 HG2 :: 1.094 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.404 Ave N Shift Values>> N :: 115.7(5.05) W99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.68 H 0.31 C Shift Assignments>> C :: 174.450 CA :: 54.480 CB :: 34.820 CD1 :: 120.897 CE3 :: 119.056 CZ2 :: 112.372 CZ3 :: 121.439 CH2 :: 126.109 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.398 HA :: 5.668 HB2 :: 2.964 HB3 :: 3.250 HD1 :: 7.248 HE1 :: 10.572 HE3 :: 6.652 HZ2 :: 7.273 HZ3 :: 5.691 HH2 :: 6.500 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 129.314 NE1 :: 127.157 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 M 0.38 I 0.07 K 0.05 C Shift Assignments>> C :: 174.530 CA :: 55.530 CB :: 33.280 CG :: 38.510 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.356 HA :: 5.489 HB2 :: 1.781 HB3 :: 2.038 HG2 :: 1.650 HG3 :: 1.918 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.321 Ave N Shift Values>> N :: 120.68(3.68) I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 HN Overlap>> Y34 C Shift Assignments>> C :: 172.911 CA :: 58.800 CB :: 40.940 CG1 :: 26.233 CG2 :: 16.829 CD1 :: 14.035 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.297 HA :: 5.338 HB :: 1.955 HG2 :: 0.973 HG12 :: 1.006 HG13 :: 1.563 HD1 :: 0.212 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.362 Ave N Shift Values>> N :: 121.6(4.72) Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 H 0.01 W 0.01 C Shift Assignments>> C :: 174.265 CA :: 55.910 CB :: 38.160 CD1 :: 134.262 CE1 :: 120.808 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.994 HA :: 5.068 HB2 :: 2.750 HB3 :: 3.188 HD1 :: 7.043 HE1 :: 6.828 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.500 Ave N Shift Values>> N :: 120.79(4.69) V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 M 0.21 K 0.01 C Shift Assignments>> CA :: 60.100 CB :: 33.750 CG2 :: 21.192 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.743 HA :: 4.591 HB :: 2.553 HG2 :: 1.124 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.515 Ave N Shift Values>> N :: 121.02(4.96) P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.438 CA :: 62.236 CB :: 32.480 CG :: 27.926 CD :: 51.627 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.678 HB2 :: 1.959 HB3 :: 2.529 HG2 :: 1.967 HG3 :: 2.067 HD2 :: 3.744 HD3 :: 4.627 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> N8 C Shift Assignments>> C :: 178.780 CA :: 62.286 CB :: 62.286 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.592 HA :: 4.145 HB2 :: 3.499 HB3 :: 3.684 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.679 Ave N Shift Values>> N :: 116.3(3.95) G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 175.301 CA :: 46.410 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.916 HA2 :: 3.952 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.700 Ave N Shift Values>> N :: 109.91(4.29) L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 R 0.13 L 0.06 G 0.02 C Shift Assignments>> C :: 174.508 CA :: 53.750 CB :: 42.360 CG :: 27.353 CD1 :: 25.836 CD2 :: 18.902 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.946 HA :: 4.583 HB2 :: 1.565 HB3 :: 1.741 HG :: 1.678 HD1 :: 0.980 HD2 :: 0.910 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.230 Ave N Shift Values>> N :: 121.98(4.07) A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.13 C Shift Assignments>> C :: 175.026 CA :: 51.230 CB :: 18.820 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.760 HA :: 4.333 HB :: 1.373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.920 Ave N Shift Values>> N :: 123.23(3.7) Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.234 CA :: 59.000 CB :: 38.170 CD1 :: 133.131 CE1 :: 116.615 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.084 HA :: 4.538 HB2 :: 2.841 HB3 :: 3.203 HD1 :: 7.118 HE1 :: 6.406 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.730 Ave N Shift Values>> N :: 120.79(4.69) G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> CA :: 45.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.492 HA2 :: 3.776 HA3 :: 4.286 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.974 Ave N Shift Values>> N :: 109.91(4.29) P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.483 CA :: 63.757 CB :: 31.758 CG :: 26.383 CD :: 50.622 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.431 HB2 :: 2.210 HB3 :: 2.292 HG2 :: 1.963 HG3 :: 2.122 HD2 :: 3.678 HD3 :: 3.991 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.19 K 0.15 C Shift Assignments>> C :: 174.650 CA :: 55.980 CB :: 31.690 CG :: 27.389 CD :: 43.786 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.574 HA :: 4.365 HB2 :: 1.872 HG2 :: 1.650 HD2 :: 3.277 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.321 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.962 CA :: 57.390 CB :: 63.640 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.119 HA :: 4.806 HB2 :: 3.936 HB3 :: 3.974 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.995 Ave N Shift Values>> N :: 116.3(3.95) V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> D49 C Shift Assignments>> C :: 175.265 CA :: 62.555 CB :: 32.668 CG1 :: 21.363 CG2 :: 20.661 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.272 HA :: 3.999 HB :: 1.748 HG1 :: 0.521 HG2 :: 0.435 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.176 Ave N Shift Values>> N :: 121.02(4.96) G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.23 R 0.19 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.860 CA :: 44.480 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.818 HA2 :: 3.742 HA3 :: 4.265 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.211 Ave N Shift Values>> N :: 109.91(4.29) G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.09 F 0.01 D 0.01 HN Overlap>> G96 C Shift Assignments>> CA :: 44.890 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.528 HA2 :: 4.003 HA3 :: 4.688 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.612 Ave N Shift Values>> N :: 109.91(4.29) P117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.258 CA :: 63.753 CB :: 32.391 CG :: 26.489 CD :: 50.075 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.529 HB2 :: 1.940 HB3 :: 2.314 HG2 :: 1.738 HG3 :: 2.233 HD2 :: 3.771 HD3 :: 3.839 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.763 CA :: 61.160 CB :: 37.530 CG1 :: 27.379 CG2 :: 17.681 CD1 :: 12.920 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.100 HA :: 3.817 HB :: 1.700 HG2 :: 0.833 HG12 :: 0.361 HG13 :: 0.937 HD1 :: -0.153 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.961 Ave N Shift Values>> N :: 121.6(4.72) G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.29 G 0.27 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.010 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.335 HA2 :: 3.724 HA3 :: 4.456 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 119.218 Ave N Shift Values>> N :: 109.91(4.29) P120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> C :: 176.817 CA :: 62.327 CB :: 32.761 CG :: 26.893 CD :: 49.011 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.198 HB2 :: 1.645 HB3 :: 2.166 HG2 :: 1.904 HG3 :: 2.040 HD2 :: 3.462 HD3 :: 3.578 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 E 0.17 Y 0.12 M 0.09 F 0.06 D 0.04 K 0.03 I 0.01 C Shift Assignments>> C :: 176.820 CA :: 53.930 CB :: 36.840 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.604 HA :: 4.064 HB2 :: 2.847 HB3 :: 3.134 HD21 :: 7.755 HD22 :: 6.948 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.247 ND2 :: 112.438 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.23 I 0.07 K 0.04 Q 0.02 C Shift Assignments>> C :: 176.750 CA :: 56.950 CB :: 31.240 CG :: 36.675 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.129 HA :: 4.436 HB2 :: 1.902 HB3 :: 2.035 HG2 :: 1.942 HG3 :: 2.112 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.004 Ave N Shift Values>> N :: 120.68(3.68) T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.453 CA :: 64.210 CB :: 69.700 CG2 :: 23.420 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.766 HA :: 4.571 HB :: 4.073 HG2 :: 1.121 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 126.859 Ave N Shift Values>> N :: 115.7(5.05) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.25 A 0.16 C Shift Assignments>> C :: 177.925 CA :: 53.210 CB :: 47.090 CG :: 26.892 CD1 :: 26.832 CD2 :: 23.258 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.305 HA :: 5.060 HB2 :: 1.339 HB3 :: 1.778 HG :: 1.198 HD2 :: 0.657 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.643 Ave N Shift Values>> N :: 121.98(4.07) I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> L16 C Shift Assignments>> C :: 175.822 CA :: 60.340 CB :: 40.280 CG1 :: 28.274 CG2 :: 15.353 CD1 :: 17.246 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.479 HA :: 5.146 HB :: 1.571 HG2 :: 0.618 HG12 :: 1.120 HG13 :: 1.430 HD1 :: 0.711 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.111 Ave N Shift Values>> N :: 121.6(4.72) F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 F 0.18 G 0.18 C Shift Assignments>> C :: 174.346 CA :: 55.230 CB :: 42.960 CE1 :: 132.880 CZ :: 130.787 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.016 HA :: 6.069 HB2 :: 2.713 HB3 :: 2.865 HD1 :: 7.670 HE1 :: 8.027 HZ :: 7.569 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.400 Ave N Shift Values>> N :: 120.69(4.18) K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.34 M 0.03 C Shift Assignments>> C :: 175.836 CA :: 56.160 CB :: 34.050 CG :: 25.561 CD :: 29.451 CE :: 41.783 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.977 HA :: 5.144 HB2 :: 1.840 HB3 :: 1.956 HG2 :: 1.310 HD2 :: 1.718 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.053 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 G 0.13 C Shift Assignments>> C :: 173.873 CA :: 60.940 CB :: 42.340 CG1 :: 27.101 CD1 :: 16.292 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.389 HA :: 4.749 HB :: 1.340 HG12 :: 0.282 HG13 :: 1.207 HD1 :: 0.474 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.671 Ave N Shift Values>> N :: 121.6(4.72) H129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.63 W 0.36 C Shift Assignments>> C :: 173.935 CA :: 52.030 CB :: 31.300 CD2 :: 119.384 CE1 :: 136.905 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.329 HA :: 5.824 HB2 :: 3.089 HB3 :: 3.317 HD2 :: 6.733 HE1 :: 8.432 HE2 :: 8.651 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 126.062 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 R 0.35 K 0.07 G 0.02 HN Overlap>> I131 C Shift Assignments>> C :: 173.822 CA :: 54.390 CB :: 42.200 CG :: 28.284 CD1 :: 26.686 CD2 :: 24.637 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.597 HA :: 4.449 HB2 :: 1.039 HB3 :: 1.853 HG :: 1.163 HD1 :: 0.643 HD2 :: 0.830 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.566 Ave N Shift Values>> N :: 121.98(4.07) I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> L130 C Shift Assignments>> C :: 176.506 CA :: 63.940 CB :: 38.720 CG1 :: 27.516 CG2 :: 16.646 CD1 :: 13.518 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.639 HA :: 3.535 HB :: 1.411 HG2 :: 0.784 HG12 :: 0.457 HG13 :: 1.057 HD1 :: 0.643 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.636 Ave N Shift Values>> N :: 121.6(4.72) S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.100 CA :: 57.020 CB :: 65.330 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.480 HA :: 4.628 HB2 :: 3.749 HB3 :: 3.793 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.640 Ave N Shift Values>> N :: 116.3(3.95) V133 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 :: 174.294 CA :: 60.950 CB :: 35.180 CG1 :: 21.178 CG2 :: 22.239 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.356 HA :: 4.522 HB :: 1.700 HG1 :: 0.762 HG2 :: 0.852 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.422 Ave N Shift Values>> N :: 121.02(4.96) K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.2 M 0.04 G 0.01 C Shift Assignments>> C :: 175.130 CA :: 54.800 CB :: 34.550 CG :: 24.373 CD :: 29.230 CE :: 42.100 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.142 HA :: 4.614 HB2 :: 1.590 HB3 :: 1.730 HG2 :: 1.303 HD2 :: 1.605 HE2 :: 2.907 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.051 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.31 M 0.04 C Shift Assignments>> C :: 177.413 CA :: 55.970 CB :: 32.730 CG :: 24.553 CD :: 28.497 CE :: 41.854 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.623 HA :: 4.385 HB2 :: 1.757 HB3 :: 1.875 HG2 :: 1.492 HG3 :: 1.492 HD2 :: 1.689 HE2 :: 2.942 HE3 :: 3.053 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.473 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.733 CA :: 58.600 CB :: 63.970 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.751 HA :: 4.464 HB2 :: 3.938 HB3 :: 3.938 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.164 Ave N Shift Values>> N :: 116.3(3.95) S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 60.015 CB :: 64.747 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.954 HA :: 4.474 HB2 :: 3.940 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.079 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 137 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 136 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 0 C Shift Results: #Consistent: 581 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 734 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 137 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0