G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.172 CB :: 32.287 CG :: 27.087 CD :: 49.666 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 :: 4.468 HB2 :: 2.306 HB3 :: 1.935 HG2 :: 2.000 HG3 :: 2.000 HD2 :: 3.571 HD3 :: 3.571 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) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 R 0.06 G 0.01 A 0.01 C Shift Assignments>> CA :: 55.421 CB :: 42.281 CG :: 27.085 CD1 :: 24.764 CD2 :: 23.410 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 :: 8.559 HA :: 4.346 HB2 :: 1.660 HB3 :: 1.590 HG :: 1.645 HD1 :: 0.915 HD2 :: 0.871 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 :: 122.366 Ave N Shift Values>> N :: 121.98(4.07) G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.383 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.432 HA2 :: 4.005 HA3 :: 4.005 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.908 Ave N Shift Values>> N :: 109.91(4.29) S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.564 CB :: 63.874 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.327 HA :: 4.464 HB2 :: 3.911 HB3 :: 3.857 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 :: 115.905 Ave N Shift Values>> N :: 116.3(3.95) G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.626 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.570 HA2 :: 4.000 HA3 :: 4.000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.063 Ave N Shift Values>> N :: 109.91(4.29) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.344 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.292 HA2 :: 3.974 HA3 :: 3.974 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.652 Ave N Shift Values>> N :: 109.91(4.29) Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.24 E 0.1 M 0.09 R 0.04 HN Overlap>> L38 Y92 C Shift Assignments>> CA :: 55.691 CB :: 29.443 CG :: 33.704 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 :: 8.272 HA :: 4.339 HB2 :: 2.098 HB3 :: 1.964 HG2 :: 2.337 HG3 :: 2.337 HE21 :: 7.546 HE22 :: 6.854 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 :: 119.781 NE2 :: 112.612 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.26 C 0.25 R 0.08 M 0.06 E 0.04 C Shift Assignments>> CA :: 53.822 CB :: 28.747 CG :: 33.353 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 :: 8.450 HA :: 4.597 HB2 :: 2.073 HB3 :: 1.909 HG2 :: 2.375 HG3 :: 2.375 HE21 :: 7.516 HE22 :: 6.858 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 :: 122.781 NE2 :: 112.492 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 62.999 CB :: 32.045 CG :: 27.410 CD :: 50.604 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 :: 4.452 HB2 :: 2.264 HB3 :: 1.895 HG2 :: 1.990 HG3 :: 1.990 HD2 :: 3.780 HD3 :: 3.631 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) V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> CA :: 62.834 CB :: 32.546 CG1 :: 20.620 CG2 :: 20.996 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 :: 8.276 HA :: 3.966 HB :: 2.001 HG1 :: 0.915 HG2 :: 0.868 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 :: 120.248 Ave N Shift Values>> N :: 121.02(4.96) N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.18 D 0.16 Y 0.1 F 0.08 L 0.03 E 0.02 C Shift Assignments>> CA :: 53.739 CB :: 38.553 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 :: 8.408 HA :: 4.595 HB2 :: 2.791 HB3 :: 2.791 HD21 :: 7.688 HD22 :: 6.730 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 :: 121.425 ND2 :: 112.544 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.14 E 0.14 R 0.13 H 0.12 C 0.12 Q 0.11 K 0.09 M 0.04 I 0.03 V 0.01 C Shift Assignments>> CA :: 57.763 CB :: 29.940 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>> HA :: 4.429 HB2 :: 3.142 HB3 :: 3.142 HD2 :: 7.045 HE1 :: 7.929 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) L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 R 0.05 G 0.01 C Shift Assignments>> CA :: 56.617 CB :: 42.019 CG :: 26.847 CD1 :: 24.847 CD2 :: 23.699 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 :: 7.832 HA :: 4.094 HB2 :: 1.517 HB3 :: 1.324 HG :: 1.308 HD1 :: 0.725 HD2 :: 0.717 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 :: 120.913 Ave N Shift Values>> N :: 121.98(4.07) V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> R115 C Shift Assignments>> CA :: 65.206 CB :: 31.424 CG1 :: 21.053 CG2 :: 21.862 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 :: 7.890 HA :: 3.687 HB :: 2.010 HG1 :: 0.874 HG2 :: 0.834 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 :: 119.608 Ave N Shift Values>> N :: 121.02(4.96) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.49 C 0.48 M 0.02 C Shift Assignments>> CA :: 59.363 CB :: 31.928 CG :: 24.740 CD :: 29.014 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>> HA :: 4.042 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.501 HG3 :: 1.408 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.972 HE3 :: 2.972 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) E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.33 E 0.3 I 0.25 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> CA :: 59.767 CB :: 29.107 CG :: 36.300 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>> HA :: 4.067 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.351 HG3 :: 2.272 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) I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> CA :: 64.177 CB :: 36.837 CG1 :: 29.610 CG2 :: 17.522 CD1 :: 11.852 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 :: 7.958 HA :: 3.593 HB :: 2.075 HG2 :: 0.757 HG12 :: 1.565 HG13 :: 1.014 HD1 :: 0.674 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 :: 121.590 Ave N Shift Values>> N :: 121.6(4.72) D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.18 Y 0.13 C 0.13 L 0.13 R 0.08 D 0.05 I 0.03 C Shift Assignments>> CA :: 57.979 CB :: 41.591 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 :: 8.332 HA :: 4.325 HB2 :: 2.811 HB3 :: 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 :: 121.222 Ave N Shift Values>> N :: 120.73(4.2) M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.48 C Shift Assignments>> CA :: 58.819 CB :: 32.459 CG :: 32.006 CE :: 16.785 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 :: 8.092 HA :: 4.089 HB2 :: 2.161 HB3 :: 2.161 HG2 :: 2.761 HG3 :: 2.610 HE :: 2.082 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 :: 116.015 Ave N Shift Values>> N :: 120.1(3.88) L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.39 R 0.13 K 0.01 G 0.01 C Shift Assignments>> CA :: 58.930 CB :: 42.058 CG :: 26.709 CD1 :: 26.872 CD2 :: 24.892 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 :: 7.804 HA :: 4.126 HB2 :: 1.930 HB3 :: 1.930 HG :: 2.075 HD1 :: 0.800 HD2 :: 0.731 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 :: 122.040 Ave N Shift Values>> N :: 121.98(4.07) L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.36 R 0.12 G 0.01 C Shift Assignments>> CA :: 58.051 CB :: 42.018 CG :: 27.078 CD1 :: 25.817 CD2 :: 22.380 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 :: 8.329 HA :: 3.991 HB2 :: 2.104 HB3 :: 1.457 HG :: 1.725 HD1 :: 0.876 HD2 :: 0.644 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 :: 122.792 Ave N Shift Values>> N :: 121.98(4.07) K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.31 R 0.22 C Shift Assignments>> CA :: 60.480 CB :: 32.367 CG :: 26.765 CD :: 29.011 CE :: 41.775 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 :: 8.508 HA :: 3.854 HB2 :: 1.929 HB3 :: 1.809 HG2 :: 1.614 HG3 :: 1.356 HD2 :: 1.574 HD3 :: 1.574 HE2 :: 2.943 HE3 :: 2.943 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 :: 119.557 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.18 K 0.1 Q 0.04 M 0.01 HN Overlap>> D86 M88 C Shift Assignments>> CA :: 58.963 CB :: 28.716 CG :: 36.089 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 :: 8.373 HA :: 4.104 HB2 :: 2.151 HB3 :: 2.067 HG2 :: 2.386 HG3 :: 2.386 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 :: 118.889 Ave N Shift Values>> N :: 120.68(3.68) Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 C 0.23 Y 0.19 F 0.13 E 0.09 V 0.01 C Shift Assignments>> CA :: 60.359 CB :: 37.525 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 :: 8.110 HA :: 4.657 HB2 :: 3.192 HB3 :: 3.136 HD1 :: 6.846 HD2 :: 6.846 HE1 :: 6.379 HE2 :: 6.379 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 :: 122.064 Ave N Shift Values>> N :: 120.79(4.69) L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.37 R 0.07 HN Overlap>> C120 C Shift Assignments>> CA :: 57.104 CB :: 41.088 CG :: 27.341 CD1 :: 26.100 CD2 :: 23.389 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 :: 8.262 HA :: 3.700 HB2 :: 1.800 HB3 :: 1.372 HG :: 1.913 HD1 :: 0.900 HD2 :: 0.868 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 :: 119.236 Ave N Shift Values>> N :: 121.98(4.07) L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.3 R 0.05 G 0.04 C Shift Assignments>> CA :: 56.549 CB :: 42.775 CG :: 26.581 CD1 :: 24.771 CD2 :: 24.751 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 :: 7.235 HA :: 4.218 HB2 :: 1.833 HB3 :: 1.571 HG :: 1.705 HD1 :: 0.873 HD2 :: 0.859 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 :: 116.672 Ave N Shift Values>> N :: 121.98(4.07) S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 59.242 CB :: 65.198 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.195 HA :: 4.447 HB2 :: 3.978 HB3 :: 3.978 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 :: 113.996 Ave N Shift Values>> N :: 116.3(3.95) G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> CA :: 46.343 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.443 HA2 :: 3.966 HA3 :: 3.168 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.436 Ave N Shift Values>> N :: 109.91(4.29) D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.19 L 0.14 C 0.12 F 0.08 Y 0.07 K 0.05 C Shift Assignments>> CA :: 53.762 CB :: 40.520 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 :: 8.218 HA :: 4.800 HB2 :: 3.119 HB3 :: 2.399 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 :: 119.067 Ave N Shift Values>> N :: 120.73(4.2) I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> CA :: 65.450 CB :: 38.604 CG1 :: 30.619 CG2 :: 16.836 CD1 :: 13.541 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 :: 8.634 HA :: 3.570 HB :: 1.918 HG2 :: 0.944 HG12 :: 2.041 HG13 :: 1.082 HD1 :: 0.995 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 :: 130.014 Ave N Shift Values>> N :: 121.6(4.72) S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.683 CB :: 62.476 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.208 HA :: 4.308 HB2 :: 3.997 HB3 :: 3.997 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 :: 115.991 Ave N Shift Values>> N :: 116.3(3.95) E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.28 K 0.15 Q 0.12 I 0.07 M 0.03 R 0.01 C Shift Assignments>> CA :: 58.274 CB :: 29.208 CG :: 35.393 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 :: 8.077 HA :: 4.278 HB2 :: 1.986 HB3 :: 1.890 HG2 :: 2.360 HG3 :: 2.255 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 :: 123.897 Ave N Shift Values>> N :: 120.68(3.68) A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.3 I 0.05 C 0.03 V 0.01 C Shift Assignments>> CA :: 55.569 CB :: 18.345 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.510 HA :: 4.234 HB :: 1.241 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.273 Ave N Shift Values>> N :: 123.23(3.7) E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.31 E 0.29 K 0.03 M 0.01 HN Overlap>> E114 C Shift Assignments>> CA :: 60.345 CB :: 29.853 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 :: 8.502 HA :: 3.591 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.092 HG3 :: 2.092 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 :: 116.873 Ave N Shift Values>> N :: 120.68(3.68) H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 W 0.15 C 0.14 K 0.11 E 0.11 Q 0.09 R 0.08 H 0.08 V 0.01 M 0.01 L 0.01 HN Overlap>> T82 C Shift Assignments>> CA :: 59.474 CB :: 28.775 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 :: 8.304 HA :: 4.264 HB2 :: 3.352 HB3 :: 3.352 HD2 :: 7.275 HE1 :: 8.311 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 :: 117.859 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 I 0.41 C 0.07 R 0.02 W 0.01 C Shift Assignments>> CA :: 62.949 CB :: 26.588 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.682 HA :: 3.950 HB2 :: 3.121 HB3 :: 2.844 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.375 Ave N Shift Values>> N :: 119.95(4.79) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.42 R 0.11 G 0.01 A 0.01 HN Overlap>> Q8 Y92 C Shift Assignments>> CA :: 57.746 CB :: 42.009 CG :: 26.632 CD1 :: 22.322 CD2 :: 26.026 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 :: 8.243 HA :: 3.886 HB2 :: 1.867 HB3 :: 1.352 HG :: 1.299 HD1 :: 0.690 HD2 :: 0.261 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 :: 119.679 Ave N Shift Values>> N :: 121.98(4.07) K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.2 C Shift Assignments>> CA :: 60.199 CB :: 31.880 CG :: 26.020 CD :: 29.258 CE :: 41.765 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 :: 8.450 HA :: 4.045 HB2 :: 1.931 HB3 :: 1.931 HG2 :: 1.704 HG3 :: 1.472 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 2.987 HE3 :: 2.987 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 :: 120.489 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.17 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> CA :: 58.379 CB :: 29.529 CG :: 36.748 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 :: 8.001 HA :: 4.044 HB2 :: 2.037 HB3 :: 1.966 HG2 :: 2.120 HG3 :: 2.120 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 :: 118.884 Ave N Shift Values>> N :: 120.68(3.68) L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.33 G 0.08 R 0.06 A 0.02 HN Overlap>> A123 C Shift Assignments>> CA :: 56.681 CB :: 43.125 CG :: 26.133 CD1 :: 22.580 CD2 :: 25.498 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 :: 7.482 HA :: 4.081 HB2 :: 2.076 HB3 :: 1.472 HG :: 2.041 HD1 :: 0.810 HD2 :: 0.767 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 :: 117.940 Ave N Shift Values>> N :: 121.98(4.07) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.3 I 0.14 K 0.08 Q 0.02 C Shift Assignments>> CA :: 56.996 CB :: 27.932 CG :: 36.754 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 :: 7.534 HA :: 3.883 HB2 :: 2.254 HB3 :: 2.097 HG2 :: 2.291 HG3 :: 2.291 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 :: 113.005 Ave N Shift Values>> N :: 120.68(3.68) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 V 0.15 A 0.09 C Shift Assignments>> CA :: 57.350 CB :: 32.440 CG1 :: 18.680 CG2 :: 21.612 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>> HA :: 4.778 HB :: 1.959 HG1 :: 0.966 HG2 :: 0.939 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) P44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> CA :: 64.522 CB :: 30.527 CG :: 27.710 CD :: 49.680 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 :: 2.388(S) HB2 :: 1.846 HB3 :: 1.820 HG2 :: 2.031 HG3 :: 2.031 HD2 :: 3.669 HD3 :: 3.351 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) H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.14 H 0.13 E 0.13 W 0.13 C 0.11 R 0.1 M 0.03 I 0.02 L 0.01 C Shift Assignments>> CA :: 56.969 CB :: 29.221 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 :: 8.110 HA :: 4.532 HB2 :: 3.114 HB3 :: 2.942 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 :: 114.265 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.17 F 0.14 K 0.13 C 0.12 Y 0.12 N 0.05 R 0.02 I 0.01 C Shift Assignments>> CA :: 55.665 CB :: 40.827 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 :: 8.292 HA :: 4.957 HB2 :: 3.239 HB3 :: 2.513 HD1 :: 6.990 HD2 :: 6.990 HE1 :: 7.348 HE2 :: 7.348 HZ :: 7.290 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 :: 119.466 Ave N Shift Values>> N :: 120.69(4.18) H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.13 W 0.13 C 0.12 Q 0.12 E 0.11 R 0.11 H 0.1 I 0.09 L 0.02 M 0.01 C Shift Assignments>> CA :: 58.495 CB :: 28.599 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>> HA :: 4.381 HB2 :: 3.305 HB3 :: 3.078 HD2 :: 6.452 HE1 :: 7.759 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) H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.12 E 0.11 K 0.09 V 0.09 M 0.08 H 0.08 Q 0.05 I 0.03 C Shift Assignments>> CA :: 59.128 CB :: 31.446 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 :: 9.270 HA :: 4.284 HB2 :: 3.180 HB3 :: 2.924 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 :: 118.689 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 K 0.14 Q 0.13 C 0.11 W 0.11 H 0.1 E 0.09 I 0.06 L 0.06 M 0.01 C Shift Assignments>> CA :: 57.799 CB :: 28.094 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 :: 6.717 HA :: 4.125 HB2 :: 1.708 HB3 :: 1.403 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 :: 121.647 Ave N Shift Values>> N :: 120.68(3.68) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.41 R 0.03 K 0.01 C Shift Assignments>> CA :: 58.571 CB :: 40.411 CG :: 27.518 CD1 :: 26.548 CD2 :: 24.818 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 :: 7.048 HA :: 3.906 HB2 :: 2.111 HB3 :: 1.413 HG :: 1.574 HD1 :: 0.766 HD2 :: 0.624 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 :: 119.847 Ave N Shift Values>> N :: 121.98(4.07) V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> CA :: 67.638 CB :: 32.251 CG1 :: 23.279 CG2 :: 21.740 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 :: 7.401 HA :: 3.159 HB :: 2.220 HG1 :: 1.145 HG2 :: 0.975 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 :: 118.163 Ave N Shift Values>> N :: 121.02(4.96) Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 F 0.2 Y 0.17 C 0.16 HN Overlap>> S127 C Shift Assignments>> CA :: 61.738 CB :: 39.389 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 :: 7.919 HA :: 3.733 HB2 :: 3.117 HB3 :: 2.937 HD1 :: 6.893 HD2 :: 6.893 HE1 :: 6.513 HE2 :: 6.513 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 :: 116.813 Ave N Shift Values>> N :: 120.79(4.69) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.24 K 0.15 Q 0.12 I 0.12 R 0.01 M 0.01 C Shift Assignments>> CA :: 59.155 CB :: 28.590 CG :: 35.270 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 :: 8.522 HA :: 3.460 HB2 :: 1.983 HB3 :: 1.847 HG2 :: 2.827 HG3 :: 2.501 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 :: 116.307 Ave N Shift Values>> N :: 120.68(3.68) A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.29 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.245 CB :: 17.436 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.559 HA :: 3.842 HB :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.411 Ave N Shift Values>> N :: 123.23(3.7) I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> CA :: 65.936 CB :: 36.816 CG1 :: 28.877 CG2 :: 17.330 CD1 :: 12.833 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 :: 7.670 HA :: 2.910 HB :: 1.391 HG2 :: 0.393 HG12 :: 1.717 HG13 :: 0.263 HD1 :: -0.051 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 :: 117.152 Ave N Shift Values>> N :: 121.6(4.72) V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> CA :: 68.434 CB :: 30.765 CG1 :: 21.604 CG2 :: 23.181 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 :: 8.028 HA :: 3.055 HB :: 1.722 HG1 :: 0.661 HG2 :: 0.285 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 :: 121.353 Ave N Shift Values>> N :: 121.02(4.96) M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.3 I 0.04 HN Overlap>> R90 C Shift Assignments>> CA :: 59.847 CB :: 31.705 CG :: 33.779 CE :: 18.858 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 :: 7.706 HA :: 3.959 HB2 :: 2.252 HB3 :: 1.784 HG2 :: 2.807 HG3 :: 2.420 HE :: 2.066 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 :: 116.313 Ave N Shift Values>> N :: 120.1(3.88) V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> CA :: 67.129 CB :: 31.098 CG1 :: 22.995 CG2 :: 21.300 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 :: 7.409 HA :: 3.215 HB :: 1.946 HG1 :: 0.548 HG2 :: 0.528 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 :: 119.525 Ave N Shift Values>> N :: 121.02(4.96) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.4 K 0.04 A 0.01 I 0.01 C Shift Assignments>> CA :: 57.827 CB :: 40.818 CD1 :: 26.068 CD2 :: 22.100 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 :: 8.106 HA :: 3.889 HB2 :: 1.948 HB3 :: 1.284 HD1 :: 0.734 HD2 :: 0.739 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 :: 119.500 Ave N Shift Values>> N :: 121.98(4.07) E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.09 K 0.06 I 0.06 Q 0.03 C Shift Assignments>> CA :: 56.877 CB :: 30.333 CG :: 36.463 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 :: 8.087 HA :: 4.161 HB2 :: 2.042 HB3 :: 1.899 HG2 :: 2.412 HG3 :: 2.117 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 :: 113.927 Ave N Shift Values>> N :: 120.68(3.68) S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.168 CB :: 64.544 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.415 HA :: 4.460 HB2 :: 4.080 HB3 :: 4.080 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 :: 115.281 Ave N Shift Values>> N :: 116.3(3.95) T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.677 CB :: 70.165 CG2 :: 21.328 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 :: 8.522 HA :: 4.566 HB :: 4.282 HG2 :: 1.249 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 :: 114.974 Ave N Shift Values>> N :: 115.7(5.05) G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.11 C 0.08 R 0.05 C Shift Assignments>> CA :: 45.076 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.498 HA2 :: 4.150 HA3 :: 4.150 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.420 Ave N Shift Values>> N :: 109.91(4.29) E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.15 I 0.04 K 0.04 Q 0.03 C Shift Assignments>> CA :: 57.209 CB :: 31.059 CG :: 36.209 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 :: 8.653 HA :: 4.442 HB2 :: 2.141 HB3 :: 1.949 HG2 :: 2.228 HG3 :: 2.228 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 :: 119.080 Ave N Shift Values>> N :: 120.68(3.68) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.618 CB :: 63.004 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.269 HA :: 4.318 HB2 :: 4.040 HB3 :: 4.040 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 :: 115.510 Ave N Shift Values>> N :: 116.3(3.95) A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.2 I 0.08 C 0.02 C Shift Assignments>> CA :: 55.922 CB :: 17.478 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.554 HA :: 3.994 HB :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.522 Ave N Shift Values>> N :: 123.23(3.7) F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 F 0.2 Y 0.19 C 0.16 C Shift Assignments>> CA :: 61.383 CB :: 39.201 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 :: 8.278 HA :: 3.970 HB2 :: 3.483 HB3 :: 3.172 HD1 :: 7.177 HD2 :: 7.177 HE1 :: 7.436 HE2 :: 7.436 HZ :: 7.100 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 :: 118.168 Ave N Shift Values>> N :: 120.69(4.18) K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.37 R 0.17 M 0.01 C Shift Assignments>> CA :: 59.429 CB :: 32.683 CG :: 25.268 CD :: 28.865 CE :: 42.033 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 :: 8.020 HA :: 4.167 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 1.674 HG3 :: 1.587 HD2 :: 1.809 HD3 :: 1.809 HE2 :: 3.033 HE3 :: 3.033 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 :: 117.428 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.42 C Shift Assignments>> CA :: 59.698 CB :: 33.146 CG :: 33.067 CE :: 17.450 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 :: 8.680 HA :: 4.399 HB2 :: 2.026 HB3 :: 2.026 HG2 :: 2.954 HG3 :: 2.506 HE :: 1.797 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 :: 116.528 Ave N Shift Values>> N :: 120.1(3.88) I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.11 C Shift Assignments>> CA :: 62.598 CB :: 34.103 CG2 :: 18.586 CD1 :: 9.286 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 :: 9.379 HA :: 4.048 HB :: 2.119 HG2 :: 0.741 HG12 :: 1.718 HG13 :: 1.506 HD1 :: 0.826 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 :: 124.678 Ave N Shift Values>> N :: 121.6(4.72) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.36 R 0.14 K 0.02 C Shift Assignments>> CA :: 59.793 CB :: 41.538 CG :: 27.622 CD1 :: 26.373 CD2 :: 24.640 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 :: 8.258 HA :: 3.947 HB2 :: 2.070 HB3 :: 1.617 HG :: 1.464 HD1 :: 0.840 HD2 :: 0.549 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 :: 123.885 Ave N Shift Values>> N :: 121.98(4.07) D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 C 0.18 I 0.08 L 0.07 D 0.07 K 0.04 N 0.01 C Shift Assignments>> CA :: 57.833 CB :: 39.981 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 :: 8.364 HA :: 4.427 HB2 :: 2.831 HB3 :: 2.605 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 :: 117.008 Ave N Shift Values>> N :: 120.73(4.2) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 R 0.03 C Shift Assignments>> CA :: 58.535 CB :: 41.434 CG :: 26.603 CD1 :: 25.141 CD2 :: 22.807 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 :: 7.847 HA :: 3.915 HB2 :: 1.961 HB3 :: 1.251 HG :: 1.154 HD1 :: 0.319 HD2 :: 0.234 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 :: 122.200 Ave N Shift Values>> N :: 121.98(4.07) L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.46 R 0.05 HN Overlap>> N103 C Shift Assignments>> CA :: 58.545 CB :: 41.230 CG :: 26.791 CD1 :: 25.785 CD2 :: 21.980 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 :: 8.628 HA :: 3.870 HB2 :: 1.952 HB3 :: 1.282 HG :: 1.937 HD1 :: 0.961 HD2 :: 0.695 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 :: 117.624 Ave N Shift Values>> N :: 121.98(4.07) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.11 M 0.01 C Shift Assignments>> CA :: 60.671 CB :: 32.723 CG :: 25.414 CD :: 29.772 CE :: 41.316 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 :: 8.743 HA :: 4.028 HB2 :: 2.007 HB3 :: 1.929 HG2 :: 1.680 HG3 :: 1.415 HD2 :: 1.714 HD3 :: 1.714 HE2 :: 2.973 HE3 :: 2.973 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 :: 117.223 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S81 C Shift Assignments>> CA :: 62.370 CB :: 63.419 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.851 HA :: 4.251 HB2 :: 4.026 HB3 :: 4.026 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 :: 114.183 Ave N Shift Values>> N :: 116.3(3.95) L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.41 R 0.09 A 0.01 C Shift Assignments>> CA :: 57.314 CB :: 41.691 CG :: 26.782 CD1 :: 22.525 CD2 :: 26.001 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 :: 8.589 HA :: 4.180 HB2 :: 1.825 HB3 :: 1.209 HG :: 1.938 HD1 :: 0.691 HD2 :: 0.555 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 :: 119.661 Ave N Shift Values>> N :: 121.98(4.07) W78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 I 0.16 C 0.15 E 0.11 R 0.08 K 0.07 H 0.07 Q 0.07 V 0.04 M 0.01 P 0.01 C Shift Assignments>> CA :: 60.108 CB :: 29.494 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 :: 8.515 HA :: 4.728 HB2 :: 3.542 HB3 :: 3.238 HD1 :: 7.119 HE1 :: 9.735 HE3 :: 7.562 HZ2 :: 7.441 HZ3 :: 6.958 HH2 :: 7.169 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 :: 120.675 NE1 :: 128.819 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.01 C Shift Assignments>> CA :: 59.467 CB :: 32.105 CG :: 25.443 CD :: 28.979 CE :: 41.857 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 :: 8.555 HA :: 3.746 HB2 :: 2.140 HB3 :: 2.068 HG2 :: 1.743 HG3 :: 1.596 HD2 :: 1.763 HD3 :: 1.763 HE2 :: 3.020 HE3 :: 3.020 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 :: 122.230 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.003 CB :: 63.724 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.097 HA :: 4.425 HB2 :: 4.176 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 :: 111.741 Ave N Shift Values>> N :: 116.3(3.95) S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S76 C Shift Assignments>> CA :: 59.485 CB :: 61.378 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.794 HA :: 4.074 HB2 :: 4.035 HB3 :: 4.035 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 :: 114.091 Ave N Shift Values>> N :: 116.3(3.95) T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> H36 C Shift Assignments>> CA :: 66.032 CB :: 68.171 CG2 :: 23.131 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 :: 8.280 HA :: 4.044 HB :: 4.058 HG2 :: 1.155 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 :: 117.790 Ave N Shift Values>> N :: 115.7(5.05) I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> CA :: 59.260 CB :: 39.564 CG1 :: 27.360 CG2 :: 18.152 CD1 :: 13.860 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 :: 7.058 HA :: 4.984 HB :: 1.599 HG2 :: 1.060 HG12 :: 1.395 HG13 :: 0.885 HD1 :: 0.732 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 :: 117.100 Ave N Shift Values>> N :: 121.6(4.72) T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 60.591 CB :: 71.451 CG2 :: 21.795 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>> HA :: 4.481 HB :: 4.734 HG2 :: 1.275 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) I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> CA :: 64.980 CB :: 38.307 CG1 :: 29.150 CG2 :: 16.987 CD1 :: 13.746 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 :: 9.022 HA :: 4.119 HB :: 2.108 HG2 :: 1.134 HG12 :: 1.767 HG13 :: 1.484 HD1 :: 1.064 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 :: 120.837 Ave N Shift Values>> N :: 121.6(4.72) D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.18 Y 0.15 L 0.14 C 0.13 D 0.09 R 0.04 I 0.03 N 0.01 HN Overlap>> E24 C Shift Assignments>> CA :: 57.365 CB :: 41.121 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 :: 8.411 HA :: 4.468 HB2 :: 2.653 HB3 :: 2.653 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 :: 118.925 Ave N Shift Values>> N :: 120.73(4.2) Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.13 C 0.12 E 0.12 Q 0.11 H 0.1 R 0.1 I 0.09 L 0.02 M 0.01 V 0.01 HN Overlap>> I95 C Shift Assignments>> CA :: 58.674 CB :: 28.735 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 :: 7.510 HA :: 4.051 HB2 :: 2.495 HB3 :: 2.495 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 :: 119.722 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.47 A 0.01 HN Overlap>> E24 E119 C Shift Assignments>> CA :: 58.398 CB :: 32.844 CG :: 32.538 CE :: 17.900 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 :: 8.354 HA :: 4.309 HB2 :: 2.286 HB3 :: 2.286 HG2 :: 2.659 HG3 :: 2.602 HE :: 1.984 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 :: 118.784 Ave N Shift Values>> N :: 120.1(3.88) K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.1 M 0.02 C Shift Assignments>> CA :: 59.946 CB :: 32.816 CG :: 24.595 CD :: 29.779 CE :: 41.717 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 :: 8.454 HA :: 3.950 HB2 :: 1.976 HB3 :: 1.976 HG2 :: 1.458 HG3 :: 1.331 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 2.965 HE3 :: 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 :: 118.389 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.09 G 0.07 HN Overlap>> M57 C Shift Assignments>> CA :: 58.999 CB :: 30.325 CG :: 27.446 CD :: 43.289 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 :: 7.708 HA :: 4.177 HB2 :: 1.824 HB3 :: 1.824 HG2 :: 1.649 HG3 :: 1.402 HD2 :: 2.964 HD3 :: 2.764 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 :: 116.318 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.28 G 0.28 C 0.24 A 0.1 N 0.04 D 0.01 L 0.01 C Shift Assignments>> CA :: 48.188 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.160 HA2 :: 3.985 HA3 :: 3.750 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.298 Ave N Shift Values>> N :: 109.91(4.29) Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.15 F 0.12 Y 0.12 E 0.01 HN Overlap>> Q8 L38 C Shift Assignments>> CA :: 62.604 CB :: 38.423 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 :: 8.185 HA :: 3.673 HB2 :: 2.923 HB3 :: 2.172 HD1 :: 7.182 HD2 :: 7.182 HE1 :: 6.598 HE2 :: 6.598 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 :: 119.756 Ave N Shift Values>> N :: 120.79(4.69) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.33 E 0.22 K 0.01 C Shift Assignments>> CA :: 60.155 CB :: 29.458 CG :: 37.622 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 :: 8.635 HA :: 3.667 HB2 :: 2.163 HB3 :: 1.929 HG2 :: 2.549 HG3 :: 2.138 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 :: 116.301 Ave N Shift Values>> N :: 120.68(3.68) R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.37 G 0.2 K 0.02 C Shift Assignments>> CA :: 60.046 CB :: 30.694 CG :: 27.097 CD :: 44.008 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 :: 7.666 HA :: 4.147 HB2 :: 1.952 HB3 :: 1.952 HG2 :: 1.353 HG3 :: 1.353 HD2 :: 2.943 HD3 :: 2.474 HE :: 6.708 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 :: 117.933 NE :: 83.844 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 HN Overlap>> Q87 C Shift Assignments>> CA :: 61.992 CB :: 35.720 CG1 :: 27.518 CG2 :: 18.823 CD1 :: 10.940 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 :: 7.429 HA :: 4.019 HB :: 2.210 HG2 :: 0.942 HG12 :: 1.579 HG13 :: 1.178 HD1 :: 0.502 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 :: 119.770 Ave N Shift Values>> N :: 121.6(4.72) Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.27 M 0.1 Y 0.08 K 0.08 Q 0.04 I 0.03 F 0.03 V 0.02 W 0.01 C Shift Assignments>> CA :: 57.538 CB :: 35.761 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 :: 8.851 HA :: 4.381 HB2 :: 3.417 HB3 :: 3.231 HD1 :: 6.996 HD2 :: 6.996 HE1 :: 6.865 HE2 :: 6.865 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 :: 119.656 Ave N Shift Values>> N :: 120.79(4.69) N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 Y 0.17 C 0.17 F 0.16 N 0.13 L 0.08 I 0.02 K 0.01 E 0.01 C Shift Assignments>> CA :: 55.540 CB :: 39.508 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 :: 7.944 HA :: 4.652 HB2 :: 3.020 HB3 :: 2.971 HD21 :: 7.693 HD22 :: 7.019 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 :: 115.056 ND2 :: 113.114 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 M 0.15 I 0.04 K 0.02 Q 0.01 C Shift Assignments>> CA :: 57.012 CB :: 31.333 CG :: 36.612 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 :: 7.959 HA :: 4.567 HB2 :: 2.423 HB3 :: 2.045 HG2 :: 2.696 HG3 :: 2.434 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 :: 117.539 Ave N Shift Values>> N :: 120.68(3.68) I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> CA :: 62.986 CB :: 38.773 CG1 :: 28.986 CG2 :: 18.842 CD1 :: 15.100 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 :: 8.272 HA :: 4.260 HB :: 2.010 HG2 :: 1.035 HG12 :: 1.115 HG13 :: 1.115 HD1 :: 0.676 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 :: 122.133 Ave N Shift Values>> N :: 121.6(4.72) P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> CA :: 66.156 CB :: 30.864 CG :: 28.341 CD :: 51.195 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 :: 4.435 HB2 :: 2.378 HB3 :: 1.842 HG2 :: 2.085 HG3 :: 1.990 HD2 :: 3.815 HD3 :: 3.514 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) D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.18 K 0.18 D 0.16 F 0.13 C 0.12 Y 0.11 R 0.05 N 0.03 I 0.01 C Shift Assignments>> CA :: 56.000 CB :: 41.234 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 :: 7.583 HA :: 4.645 HB2 :: 2.806 HB3 :: 2.771 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 :: 115.880 Ave N Shift Values>> N :: 120.73(4.2) I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> CA :: 64.244 CB :: 38.943 CG1 :: 28.360 CG2 :: 16.123 CD1 :: 13.523 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 :: 8.004 HA :: 3.926 HB :: 1.794 HG2 :: 0.906 HG12 :: 1.684 HG13 :: 1.152 HD1 :: 0.778 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 :: 122.943 Ave N Shift Values>> N :: 121.6(4.72) N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.18 C 0.14 Y 0.12 F 0.12 L 0.1 K 0.02 I 0.01 HN Overlap>> L74 C Shift Assignments>> CA :: 54.673 CB :: 39.875 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 :: 8.577 HA :: 4.627 HB2 :: 2.770 HB3 :: 2.619 HD21 :: 7.660 HD22 :: 6.914 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 :: 117.570 ND2 :: 113.974 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.31 R 0.05 A 0.02 G 0.01 C Shift Assignments>> CA :: 56.329 CB :: 42.037 CG :: 26.580 CD1 :: 25.265 CD2 :: 22.754 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 :: 7.401 HA :: 4.208 HB2 :: 1.830 HB3 :: 1.558 HG :: 1.903 HD1 :: 0.982 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 :: 117.599 Ave N Shift Values>> N :: 121.98(4.07) D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.25 K 0.17 D 0.16 R 0.14 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> CA :: 55.057 CB :: 42.246 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>> HA :: 4.732 HB2 :: 2.780 HB3 :: 2.636 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.72 C 0.27 C Shift Assignments>> CA :: 62.148 CB :: 32.795 CG1 :: 21.228 CG2 :: 20.291 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>> HA :: 4.119 HB :: 2.093 HG1 :: 0.949 HG2 :: 0.952 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) P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.78 P 0.2 C Shift Assignments>> CA :: 62.339 CB :: 34.662 CG :: 24.713 CD :: 50.300 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 :: 4.557 HB2 :: 2.389 HB3 :: 2.138 HG2 :: 1.942 HG3 :: 1.816 HD2 :: 3.580 HD3 :: 3.580 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) H108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.15 H 0.12 W 0.12 E 0.11 C 0.11 R 0.1 L 0.03 I 0.03 M 0.02 C Shift Assignments>> CA :: 56.972 CB :: 28.715 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 :: 8.654 HA :: 4.803 HB2 :: 3.475 HB3 :: 3.268 HD2 :: 7.092 HE1 :: 8.136 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 :: 123.084 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 62.654 CB :: 63.026 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.133 HB2 :: 3.859 HB3 :: 3.859 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) Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.18 Y 0.11 F 0.09 V 0.02 E 0.02 C Shift Assignments>> CA :: 62.665 CB :: 37.507 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 :: 8.323 HA :: 4.089 HB2 :: 3.013 HB3 :: 3.013 HD1 :: 7.110 HD2 :: 7.110 HE1 :: 6.695 HE2 :: 6.695 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 :: 121.059 Ave N Shift Values>> N :: 120.79(4.69) S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.578 CB :: 62.817 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.833 HA :: 4.299 HB2 :: 3.977 HB3 :: 3.977 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 :: 113.961 Ave N Shift Values>> N :: 116.3(3.95) V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> CA :: 66.719 CB :: 31.622 CG1 :: 22.292 CG2 :: 22.204 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 :: 7.787 HA :: 3.815 HB :: 2.107 HG1 :: 1.116 HG2 :: 1.103 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 :: 122.939 Ave N Shift Values>> N :: 121.02(4.96) L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.44 R 0.08 K 0.01 C Shift Assignments>> CA :: 58.538 CB :: 41.145 CG :: 26.963 CD1 :: 27.041 CD2 :: 23.652 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 :: 8.412 HA :: 4.028 HB2 :: 2.095 HB3 :: 1.526 HG :: 1.996 HD1 :: 1.052 HD2 :: 1.050 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 :: 120.284 Ave N Shift Values>> N :: 121.98(4.07) E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.26 I 0.22 K 0.1 Q 0.04 HN Overlap>> E35 C Shift Assignments>> CA :: 59.527 CB :: 28.352 CG :: 35.928 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 :: 8.455 HA :: 4.190 HB2 :: 2.241 HB3 :: 2.071 HG2 :: 2.498 HG3 :: 2.498 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 :: 116.844 Ave N Shift Values>> N :: 120.68(3.68) R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 G 0.12 K 0.09 HN Overlap>> V15 C Shift Assignments>> CA :: 59.608 CB :: 30.854 CG :: 28.212 CD :: 43.632 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 :: 7.854 HA :: 4.280 HB2 :: 2.215 HB3 :: 2.215 HG2 :: 2.000 HG3 :: 1.808 HD2 :: 3.236 HD3 :: 3.161 HE :: 7.128 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 :: 119.601 NE :: 83.928 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 F 0.15 C 0.14 Y 0.12 C Shift Assignments>> CA :: 62.964 CB :: 39.418 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 :: 9.181 HA :: 4.025 HB2 :: 3.169 HB3 :: 3.075 HD1 :: 6.233 HD2 :: 6.233 HE1 :: 6.969 HE2 :: 6.969 HZ :: 6.718 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 :: 122.309 Ave N Shift Values>> N :: 120.69(4.18) V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 67.582 CB :: 31.839 CG1 :: 24.222 CG2 :: 22.446 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 :: 9.649 HA :: 3.590 HB :: 2.442 HG1 :: 1.532 HG2 :: 1.173 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 :: 121.092 Ave N Shift Values>> N :: 121.02(4.96) E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.21 K 0.16 Q 0.14 I 0.11 R 0.02 M 0.01 C Shift Assignments>> CA :: 59.639 CB :: 28.722 CG :: 34.918 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 :: 8.234 HA :: 4.338 HB2 :: 2.252 HB3 :: 2.252 HG2 :: 2.532 HG3 :: 2.287 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 :: 121.897 Ave N Shift Values>> N :: 120.68(3.68) E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.29 E 0.27 K 0.06 Q 0.01 HN Overlap>> M88 C Shift Assignments>> CA :: 59.839 CB :: 28.742 CG :: 36.449 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 :: 8.295 HA :: 4.083 HB2 :: 2.160 HB3 :: 2.031 HG2 :: 2.591 HG3 :: 2.544 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 :: 118.757 Ave N Shift Values>> N :: 120.68(3.68) C120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.41 C 0.05 V 0.01 HN Overlap>> L26 C Shift Assignments>> CA :: 64.048 CB :: 26.226 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.313 HA :: 3.700 HB2 :: 3.129 HB3 :: 2.113 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.149 Ave N Shift Values>> N :: 119.95(4.79) F121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 Y 0.22 F 0.22 C 0.18 E 0.01 C Shift Assignments>> CA :: 60.497 CB :: 38.978 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 :: 8.656 HA :: 4.240 HB2 :: 3.269 HB3 :: 2.855 HD1 :: 7.181 HD2 :: 7.181 HE1 :: 7.284 HE2 :: 7.284 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 :: 122.561 Ave N Shift Values>> N :: 120.69(4.18) Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 Q 0.21 R 0.16 E 0.03 M 0.02 I 0.01 C Shift Assignments>> CA :: 58.367 CB :: 27.483 CG :: 33.140 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 :: 8.906 HA :: 3.581 HB2 :: 2.162 HB3 :: 1.977 HG2 :: 2.622 HG3 :: 2.583 HE21 :: 8.042 HE22 :: 6.853 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 :: 121.579 NE2 :: 112.801 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 HN Overlap>> L41 C Shift Assignments>> CA :: 52.175 CB :: 19.002 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.511 HA :: 4.283 HB :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.910 Ave N Shift Values>> N :: 123.23(3.7) G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> CA :: 45.202 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.626 HA2 :: 3.948 HA3 :: 3.768 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.989 Ave N Shift Values>> N :: 109.91(4.29) I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 61.619 CB :: 37.972 CG2 :: 17.671 CD1 :: 14.170 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 :: 7.177 HA :: 2.788 HB :: 1.234 HG2 :: 0.365 HG12 :: 0.948 HG13 :: 0.818 HD1 :: 0.638 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 :: 111.574 Ave N Shift Values>> N :: 121.6(4.72) I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.35 A 0.03 G 0.02 C Shift Assignments>> CA :: 58.581 CB :: 42.100 CG1 :: 24.558 CG2 :: 18.092 CD1 :: 14.165 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 :: 6.455 HA :: 4.298 HB :: 1.575 HG2 :: 0.193 HG12 :: 1.244 HG13 :: 0.322 HD1 :: 0.526 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 :: 107.220 Ave N Shift Values>> N :: 121.6(4.72) S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> Y52 C Shift Assignments>> CA :: 56.739 CB :: 65.561 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.937 HA :: 4.492 HB2 :: 4.378 HB3 :: 4.040 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 :: 116.729 Ave N Shift Values>> N :: 116.3(3.95) K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.22 M 0.01 C Shift Assignments>> CA :: 59.120 CB :: 32.300 CG :: 24.747 CD :: 28.443 CE :: 41.967 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 :: 9.050 HA :: 3.306 HB2 :: 1.940 HB3 :: 1.728 HG2 :: 1.368 HG3 :: 1.016 HD2 :: 1.633 HD3 :: 1.427 HE2 :: 2.950 HE3 :: 2.901 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 :: 121.847 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.21 K 0.21 E 0.1 R 0.06 I 0.05 P 0.01 M 0.01 C Shift Assignments>> CA :: 59.379 CB :: 27.963 CG :: 34.042 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 :: 8.137 HA :: 3.967 HB2 :: 2.051 HB3 :: 1.933 HG2 :: 2.401 HG3 :: 2.355 HE21 :: 7.572 HE22 :: 6.936 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 :: 116.563 NE2 :: 112.434 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.32 R 0.09 G 0.01 C Shift Assignments>> CA :: 57.097 CB :: 42.290 CG :: 27.003 CD1 :: 24.234 CD2 :: 25.178 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 :: 7.627 HA :: 4.215 HB2 :: 1.503 HB3 :: 1.503 HG :: 1.468 HD1 :: 0.997 HD2 :: 0.727 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 :: 119.886 Ave N Shift Values>> N :: 121.98(4.07) R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.28 R 0.27 L 0.11 G 0.03 C Shift Assignments>> CA :: 58.901 CB :: 28.804 CG :: 25.817 CD :: 42.857 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 :: 8.094 HA :: 3.706 HB2 :: 1.588 HB3 :: 1.396 HG2 :: 1.298 HG3 :: 1.269 HD2 :: 2.668 HD3 :: 2.520 HE :: 7.854 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 :: 123.589 NE :: 84.231 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.2 C 0.17 D 0.16 L 0.1 N 0.07 K 0.03 I 0.03 C Shift Assignments>> CA :: 56.281 CB :: 39.846 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 :: 8.666 HA :: 4.279 HB2 :: 2.597 HB3 :: 2.597 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 :: 120.090 Ave N Shift Values>> N :: 120.73(4.2) L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.23 G 0.09 R 0.05 A 0.03 C Shift Assignments>> CA :: 54.742 CB :: 43.360 CG :: 26.661 CD1 :: 25.099 CD2 :: 23.035 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 :: 7.088 HA :: 4.100 HB2 :: 1.893 HB3 :: 1.716 HG :: 1.859 HD1 :: 0.968 HD2 :: 0.914 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 :: 119.581 Ave N Shift Values>> N :: 121.98(4.07) C134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 L 0.15 Q 0.12 C 0.11 K 0.11 H 0.08 W 0.08 E 0.06 I 0.04 C Shift Assignments>> CA :: 56.985 CB :: 27.289 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.130 HA :: 3.063 HB2 :: 3.076 HB3 :: 2.788 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.270 Ave N Shift Values>> N :: 119.95(4.79) P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> CA :: 64.498 CB :: 32.659 CG :: 27.567 CD :: 51.184 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 :: 4.197 HB2 :: 2.293 HB3 :: 1.896 HG2 :: 1.968 HG3 :: 1.968 HD2 :: 3.559 HD3 :: 3.224 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) S136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 135 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 134 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 136 #Suspicious: 0 C Shift Results: #Consistent: 435 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 810 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 130 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: P44 HA = 2.388(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.9468e-08