R1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.43 C 0.36 K 0.12 G 0.07 C Shift Assignments>> C :: 174.650 CA :: 56.240 CB :: 31.040 CG :: 27.182 CD :: 43.385 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>> HA :: 4.352 HB2 :: 1.767 HB3 :: 1.767 HG2 :: 1.612 HG3 :: 1.612 HD2 :: 3.143 HD3 :: 3.143 HE :: 8.013 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) K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 C Shift Assignments>> C :: 174.647 CA :: 56.220 CB :: 33.250 CG :: 24.853 CD :: 29.316 CE :: 41.929 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 :: 8.500 HA :: 4.238 HB2 :: 1.761 HB3 :: 1.761 HG2 :: 1.378 HG3 :: 1.378 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.964 HE3 :: 2.964 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 :: 123.600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.08 M 0.03 C Shift Assignments>> C :: 175.187 CA :: 56.610 CB :: 33.430 CG :: 24.853 CD :: 29.122 CE :: 41.141 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 :: 8.360 HA :: 4.619 HB2 :: 1.803 HB3 :: 1.803 HG2 :: 1.420 HG3 :: 1.420 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.982 HE3 :: 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 :: 122.690 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 0.42 C 0.4 R 0.13 M 0.03 HN Overlap>> F44 C Shift Assignments>> C :: 177.099 CA :: 56.440 CB :: 33.390 CG :: 24.659 CD :: 29.219 CE :: 41.832 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 :: 8.370 HA :: 4.272 HB2 :: 1.761 HB3 :: 1.761 HG2 :: 1.378 HG3 :: 1.378 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.959 HE3 :: 2.959 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 :: 123.250 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 K 0.15 C 0.1 F 0.07 N 0.06 Y 0.06 R 0.05 HN Overlap>> E29 D123 C Shift Assignments>> C :: 175.952 CA :: 54.430 CB :: 41.490 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 :: 8.350 HA :: 4.621 HB2 :: 2.565 HB3 :: 2.724 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 :: 122.410 Ave N Shift Values>> N :: 120.73(4.2) I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.26 HN Overlap>> R100 F101 I121 C Shift Assignments>> C :: 174.750 CA :: 61.700 CB :: 38.550 CG1 :: 27.338 CG2 :: 17.715 CD1 :: 13.404 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 :: 8.060 HA :: 4.165 HB :: 1.863 HG2 :: 0.888 HG12 :: 1.449 HG13 :: 1.216 HD1 :: 0.888 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 :: 121.430 Ave N Shift Values>> N :: 121.6(4.72) R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.12 G 0.05 C Shift Assignments>> C :: 174.623 CA :: 55.960 CB :: 30.840 CG :: 26.997 CD :: 43.191 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 :: 8.350 HA :: 4.218 HB2 :: 1.718 HB3 :: 1.718 HG2 :: 1.571 HG3 :: 1.553 HD2 :: 3.120 HD3 :: 3.120 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 :: 124.380 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.14 C 0.1 F 0.08 N 0.08 Y 0.06 R 0.04 HN Overlap>> M14 D31 C Shift Assignments>> C :: 176.607 CA :: 54.350 CB :: 41.360 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 :: 8.140 HA :: 4.629 HB2 :: 2.679 HB3 :: 2.651 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 :: 119.980 Ave N Shift Values>> N :: 120.73(4.2) Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.21 I 0.12 D 0.04 E 0.03 L 0.03 N 0.01 HN Overlap>> I27 R113 C Shift Assignments>> C :: 174.329 CA :: 58.070 CB :: 39.050 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 :: 7.930 HA :: 4.496 HB2 :: 2.928 HB3 :: 2.970 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 :: 120.360 Ave N Shift Values>> N :: 120.79(4.69) N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.23 C 0.14 Y 0.07 F 0.06 L 0.05 C Shift Assignments>> C :: 172.320 CA :: 53.140 CB :: 39.240 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 :: 8.500 HA :: 4.634 HB2 :: 2.742 HB3 :: 2.709 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 :: 120.160 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.21 K 0.16 C 0.1 F 0.08 Y 0.06 R 0.06 N 0.05 HN Overlap>> D25 D26 C Shift Assignments>> C :: 175.571 CA :: 54.640 CB :: 41.540 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 :: 8.220 HA :: 4.417 HB2 :: 2.631 HB3 :: 2.631 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 :: 120.510 Ave N Shift Values>> N :: 120.73(4.2) A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.39 C 0.03 I 0.01 HN Overlap>> D43 C Shift Assignments>> C :: 177.687 CA :: 54.220 CB :: 18.840 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.230 HA :: 4.190 HB :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.850 Ave N Shift Values>> N :: 123.23(3.7) D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.18 K 0.15 F 0.13 C 0.12 Y 0.11 N 0.05 R 0.03 I 0.01 HN Overlap>> D129 C Shift Assignments>> C :: 174.623 CA :: 55.650 CB :: 41.020 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 :: 8.190 HA :: 4.484 HB2 :: 2.683 HB3 :: 2.683 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 :: 118.570 Ave N Shift Values>> N :: 120.73(4.2) M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.34 Q 0.16 E 0.06 K 0.04 HN Overlap>> D8 D31 C Shift Assignments>> C :: 175.852 CA :: 56.930 CB :: 32.200 CG :: 33.100 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 :: 8.130 HA :: 4.237 HB2 :: 1.710 HB3 :: 1.710 HG2 :: 2.633 HG3 :: 2.633 HE :: 1.210 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 :: 119.990 Ave N Shift Values>> N :: 120.1(3.88) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 175.229 CA :: 54.420 CB :: 18.550 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.080 HA :: 4.053 HB :: 1.424 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.940 Ave N Shift Values>> N :: 123.23(3.7) R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.13 G 0.05 C Shift Assignments>> C :: 173.499 CA :: 57.830 CB :: 30.360 CG :: 27.473 CD :: 43.191 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 :: 7.730 HA :: 4.131 HB2 :: 1.851 HB3 :: 1.851 HG2 :: 1.667 HG3 :: 1.667 HD2 :: 3.200 HD3 :: 3.200 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 :: 117.510 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.33 R 0.05 HN Overlap>> K51 A118 C Shift Assignments>> C :: 176.812 CA :: 56.920 CB :: 41.840 CG :: 26.900 CD1 :: 24.853 CD2 :: 24.271 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 :: 7.760 HA :: 4.083 HB2 :: 1.606 HB3 :: 1.606 HG :: 1.606 HD1 :: 0.756 HD2 :: 0.756 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 :: 121.110 Ave N Shift Values>> N :: 121.98(4.07) L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 R 0.08 C Shift Assignments>> C :: 177.187 CA :: 56.740 CB :: 41.900 CG :: 27.085 CD1 :: 25.338 CD2 :: 23.689 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 :: 7.910 HA :: 4.243 HB2 :: 1.396 HB3 :: 1.599 HG :: 1.396 HD1 :: 0.774 HD2 :: 0.774 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 :: 119.080 Ave N Shift Values>> N :: 121.98(4.07) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.1 K 0.08 M 0.06 Q 0.03 HN Overlap>> K57 C Shift Assignments>> C :: 176.375 CA :: 57.960 CB :: 29.960 CG :: 36.302 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 :: 7.890 HA :: 4.125 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 2.339 HG3 :: 2.209 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 :: 118.820 Ave N Shift Values>> N :: 120.68(3.68) Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.24 E 0.11 R 0.06 M 0.05 I 0.01 C Shift Assignments>> C :: 174.937 CA :: 57.070 CB :: 28.990 CG :: 33.779 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 :: 7.950 HA :: 4.084 HB2 :: 2.071 HB3 :: 2.071 HG2 :: 2.307 HG3 :: 2.307 HE21 :: 7.163 HE22 :: 7.163 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 :: 118.640 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 Q 0.13 H 0.12 K 0.12 C 0.11 R 0.11 M 0.03 I 0.03 V 0.01 HN Overlap>> I42 Q139 C Shift Assignments>> C :: 175.495 CA :: 57.600 CB :: 29.540 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 :: 7.990 HA :: 4.458 HB2 :: 3.298 HB3 :: 3.298 HE1 :: 10.265 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 :: 120.730 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.06 Q 0.03 HN Overlap>> E120 C Shift Assignments>> C :: 175.111 CA :: 57.130 CB :: 30.260 CG :: 36.399 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 :: 8.090 HA :: 4.199 HB2 :: 1.997 HB3 :: 1.997 HG2 :: 2.168 HG3 :: 2.168 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 :: 120.500 Ave N Shift Values>> N :: 120.68(3.68) K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.16 M 0.03 G 0.01 HN Overlap>> Q139 C Shift Assignments>> C :: 175.063 CA :: 56.590 CB :: 33.290 CG :: 24.562 CD :: 29.122 CE :: 42.317 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 :: 7.880 HA :: 4.579 HB2 :: 1.702 HB3 :: 1.702 HG2 :: 1.408 HG3 :: 1.408 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.616 HE3 :: 2.616 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 :: 120.700 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.21 K 0.15 C 0.1 F 0.08 Y 0.06 N 0.06 R 0.05 C Shift Assignments>> C :: 174.760 CA :: 54.610 CB :: 41.450 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 :: 8.270 HA :: 4.633 HB2 :: 2.719 HB3 :: 2.610 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 :: 121.700 Ave N Shift Values>> N :: 120.73(4.2) D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.21 K 0.15 C 0.1 F 0.08 Y 0.06 N 0.06 R 0.05 HN Overlap>> D11 D26 C Shift Assignments>> C :: 174.686 CA :: 54.590 CB :: 41.450 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 :: 8.210 HA :: 4.581 HB2 :: 2.617 HB3 :: 2.623 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 :: 120.510 Ave N Shift Values>> N :: 120.73(4.2) D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 F 0.08 N 0.08 Y 0.07 R 0.04 HN Overlap>> D11 D25 C Shift Assignments>> C :: 176.047 CA :: 54.430 CB :: 41.270 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 :: 8.290 HA :: 4.630 HB2 :: 2.709 HB3 :: 2.663 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 :: 120.440 Ave N Shift Values>> N :: 120.73(4.2) I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> Y9 R113 E137 C Shift Assignments>> C :: 174.870 CA :: 61.120 CB :: 39.010 CG1 :: 27.376 CG2 :: 17.771 CD1 :: 13.267 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 :: 7.930 HA :: 4.148 HB :: 1.863 HG2 :: 0.890 HG12 :: 1.449 HG13 :: 1.154 HD1 :: 0.844 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 :: 120.410 Ave N Shift Values>> N :: 121.6(4.72) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.11 K 0.06 I 0.04 Q 0.03 C Shift Assignments>> C :: 175.127 CA :: 56.370 CB :: 30.470 CG :: 36.399 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 :: 8.460 HA :: 4.293 HB2 :: 2.027 HB3 :: 1.920 HG2 :: 2.250 HG3 :: 2.250 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 :: 125.210 Ave N Shift Values>> N :: 120.68(3.68) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.11 K 0.06 I 0.05 Q 0.04 HN Overlap>> D5 D123 C Shift Assignments>> C :: 176.617 CA :: 57.130 CB :: 30.510 CG :: 36.302 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 :: 8.460 HA :: 4.251 HB2 :: 1.997 HB3 :: 1.997 HG2 :: 2.245 HG3 :: 2.245 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 :: 122.390 Ave N Shift Values>> N :: 120.68(3.68) G30 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>> C :: 172.315 CA :: 45.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.380 HA2 :: 3.937 HA3 :: 3.917 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.510 Ave N Shift Values>> N :: 109.91(4.29) D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 K 0.14 C 0.1 N 0.07 F 0.07 Y 0.06 R 0.05 HN Overlap>> D8 M14 C Shift Assignments>> C :: 175.938 CA :: 54.190 CB :: 41.490 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 :: 8.200 HA :: 4.641 HB2 :: 2.669 HB3 :: 2.669 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 :: 120.010 Ave N Shift Values>> N :: 120.73(4.2) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.11 C 0.1 N 0.08 R 0.07 F 0.04 Y 0.03 HN Overlap>> L91 C Shift Assignments>> CA :: 53.160 CB :: 41.940 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 :: 8.130 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 :: 122.980 Ave N Shift Values>> N :: 121.98(4.07) P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 176.203 CA :: 63.570 CB :: 32.050 CG :: 27.570 CD :: 50.661 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 :: 4.355 HB2 :: 2.289 HB3 :: 2.289 HG2 :: 1.985 HG3 :: 1.808 HD2 :: 3.818 HD3 :: 3.591 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) E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.09 I 0.09 M 0.06 Q 0.04 C Shift Assignments>> C :: 175.851 CA :: 57.800 CB :: 29.920 CG :: 36.205 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 :: 8.640 HA :: 4.052 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 2.168 HG3 :: 2.168 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 :: 119.530 Ave N Shift Values>> N :: 120.68(3.68) H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 W 0.13 E 0.13 C 0.12 Q 0.11 M 0.08 K 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 174.943 CA :: 56.360 CB :: 30.510 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 :: 8.080 HA :: 4.618 HB2 :: 3.123 HB3 :: 3.123 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 :: 118.180 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.4 R 0.1 M 0.03 C Shift Assignments>> C :: 174.771 CA :: 56.110 CB :: 33.090 CG :: 24.756 CD :: 29.219 CE :: 41.444 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 :: 7.941 HA :: 4.272 HB2 :: 1.767 HB3 :: 1.767 HG2 :: 1.402 HG3 :: 1.402 HD2 :: 1.673 HD3 :: 1.673 HE2 :: 2.964 HE3 :: 2.964 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 :: 121.378 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.15 R 0.14 Q 0.12 W 0.11 M 0.09 E 0.09 K 0.07 C Shift Assignments>> CA :: 54.230 CB :: 30.280 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 :: 8.400 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 :: 123.710 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 175.500 CA :: 63.220 CB :: 32.140 CG :: 27.473 CD :: 50.855 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 :: 2.286 HB3 :: 2.286 HG2 :: 1.968 HG3 :: 1.968 HD2 :: 3.795 HD3 :: 3.606 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) S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S45 C Shift Assignments>> C :: 172.452 CA :: 58.240 CB :: 64.020 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.380 HA :: 4.396 HB2 :: 3.855 HB3 :: 3.835 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 :: 116.340 Ave N Shift Values>> N :: 116.3(3.95) A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 50.500 CB :: 18.620 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.540 Ave N Shift Values>> N :: 123.23(3.7) P41 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>> C :: 175.377 CA :: 63.080 CB :: 31.880 CG :: 27.376 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 :: 4.401 HB2 :: 2.248 HB3 :: 2.248 HG2 :: 1.988 HG3 :: 1.859 HD2 :: 3.591 HD3 :: 3.744 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) I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> W21 C Shift Assignments>> C :: 173.930 CA :: 61.060 CB :: 39.140 CG1 :: 27.473 CG2 :: 17.383 CD1 :: 13.170 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 :: 8.050 HA :: 3.978 HB :: 1.652 HG2 :: 0.787 HG12 :: 1.394 HG13 :: 1.067 HD1 :: 0.562 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 :: 120.720 Ave N Shift Values>> N :: 121.6(4.72) D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.17 N 0.15 C 0.11 K 0.09 F 0.06 Y 0.05 R 0.02 HN Overlap>> A12 C Shift Assignments>> C :: 174.983 CA :: 53.370 CB :: 41.090 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 :: 8.160 HA :: 4.611 HB2 :: 2.687 HB3 :: 2.536 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 :: 123.770 Ave N Shift Values>> N :: 120.73(4.2) F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.2 I 0.19 E 0.03 L 0.01 D 0.01 HN Overlap>> K4 C Shift Assignments>> C :: 175.313 CA :: 59.100 CB :: 38.920 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 :: 8.370 HA :: 4.432 HB2 :: 3.224 HB3 :: 2.976 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 :: 123.250 Ave N Shift Values>> N :: 120.69(4.18) S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S39 C Shift Assignments>> C :: 173.387 CA :: 60.080 CB :: 63.560 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.410 HA :: 4.338 HB2 :: 3.852 HB3 :: 3.898 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 :: 116.300 Ave N Shift Values>> N :: 116.3(3.95) K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 HN Overlap>> C131 C Shift Assignments>> C :: 175.084 CA :: 56.280 CB :: 32.890 CG :: 24.853 CD :: 29.025 CE :: 42.026 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 :: 7.860 HA :: 4.335 HB2 :: 1.908 HB3 :: 1.908 HG2 :: 1.373 HG3 :: 1.373 HD2 :: 1.655 HD3 :: 1.655 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 :: 121.750 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.26 R 0.09 G 0.02 A 0.01 HN Overlap>> I55 C Shift Assignments>> C :: 175.222 CA :: 54.890 CB :: 42.500 CG :: 26.988 CD1 :: 25.338 CD2 :: 23.786 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 :: 7.690 HA :: 4.286 HB2 :: 1.569 HB3 :: 1.569 HG :: 1.580 HD1 :: 0.840 HD2 :: 0.840 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 :: 121.600 Ave N Shift Values>> N :: 121.98(4.07) D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.14 C 0.12 K 0.07 R 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 51.980 CB :: 41.670 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 :: 8.240 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 :: 122.770 Ave N Shift Values>> N :: 120.73(4.2) P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 175.988 CA :: 63.810 CB :: 32.100 CG :: 27.085 CD :: 50.855 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 :: 4.339 HB2 :: 2.225 HB3 :: 2.225 HG2 :: 1.968 HG3 :: 1.968 HD2 :: 3.827 HD3 :: 3.827 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) G50 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>> C :: 172.698 CA :: 45.200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.510 HA2 :: 4.044 HA3 :: 3.827 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.520 Ave N Shift Values>> N :: 109.91(4.29) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.2 K 0.15 Q 0.1 H 0.09 R 0.09 W 0.07 E 0.04 HN Overlap>> L17 C Shift Assignments>> CA :: 54.090 CB :: 32.600 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 :: 7.810 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 :: 121.130 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 176.228 CA :: 64.490 CB :: 31.790 CG :: 27.570 CD :: 50.661 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 :: 4.241 HB2 :: 2.230 HB3 :: 2.230 HG2 :: 1.997 HG3 :: 1.816 HD2 :: 3.721 HD3 :: 3.721 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) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.12 K 0.11 Q 0.05 M 0.03 C Shift Assignments>> C :: 175.938 CA :: 58.270 CB :: 29.270 CG :: 36.108 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 :: 8.890 HA :: 3.882 HB2 :: 2.085 HB3 :: 2.085 HG2 :: 2.605 HG3 :: 2.701 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 :: 119.160 Ave N Shift Values>> N :: 120.68(3.68) S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.620 CA :: 59.750 CB :: 63.350 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.980 HA :: 4.309 HB2 :: 3.898 HB3 :: 3.898 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 :: 115.660 Ave N Shift Values>> N :: 116.3(3.95) I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 HN Overlap>> L47 C Shift Assignments>> C :: 176.295 CA :: 62.620 CB :: 38.390 CG1 :: 28.152 CG2 :: 17.577 CD1 :: 13.170 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 :: 7.750 HA :: 3.951 HB :: 1.999 HG2 :: 0.826 HG12 :: 1.435 HG13 :: 1.078 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 :: 121.510 Ave N Shift Values>> N :: 121.6(4.72) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.32 R 0.08 C Shift Assignments>> C :: 176.750 CA :: 56.780 CB :: 41.920 CG :: 26.891 CD1 :: 25.435 CD2 :: 23.786 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 :: 7.940 HA :: 4.099 HB2 :: 1.636 HB3 :: 1.636 HG :: 1.487 HD1 :: 0.861 HD2 :: 0.861 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 :: 122.800 Ave N Shift Values>> N :: 121.98(4.07) K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.48 M 0.03 HN Overlap>> E19 C Shift Assignments>> C :: 175.875 CA :: 57.770 CB :: 32.700 CG :: 25.241 CD :: 29.413 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 :: 7.840 HA :: 4.065 HB2 :: 1.749 HB3 :: 1.749 HG2 :: 1.354 HG3 :: 1.354 HD2 :: 1.572 HD3 :: 1.572 HE2 :: 2.940 HE3 :: 2.940 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 :: 118.920 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.18 C 0.18 Q 0.17 R 0.06 W 0.06 H 0.06 E 0.04 V 0.02 HN Overlap>> R130 C Shift Assignments>> C :: 176.062 CA :: 56.400 CB :: 33.190 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 :: 7.900 HA :: 4.440 HB2 :: 2.108 HB3 :: 2.108 HG2 :: 2.508 HG3 :: 2.508 HE :: 1.873 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 :: 117.650 Ave N Shift Values>> N :: 120.1(3.88) T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.952 CA :: 62.840 CB :: 70.040 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 :: 8.050 HA :: 4.436 HG1 :: 4.652 HG2 :: 1.176 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 :: 112.350 Ave N Shift Values>> N :: 115.7(5.05) K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.33 R 0.12 K 0.05 M 0.04 C Shift Assignments>> C :: 174.894 CA :: 55.960 CB :: 33.160 CG :: 24.729 CD :: 29.162 CE :: 44.708 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 :: 8.030 HA :: 4.329 HB2 :: 1.885 HB3 :: 1.885 HG2 :: 1.383 HG3 :: 1.383 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 3.300 HE3 :: 3.300 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 :: 121.730 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 M 0.07 K 0.05 HN Overlap>> L86 C Shift Assignments>> C :: 174.790 CA :: 56.114 CB :: 32.809 CG :: 24.772 CD :: 28.993 CE :: 38.603 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 :: 7.838 HA :: 3.902 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 1.403 HG3 :: 1.403 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 2.939 HE3 :: 2.939 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 :: 122.042 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 172.000 CA :: 45.720 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.680 HA2 :: 3.605 HA3 :: 3.605 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.810 Ave N Shift Values>> N :: 109.91(4.29) K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.36 R 0.18 M 0.02 HN Overlap>> E82 E137 C Shift Assignments>> C :: 174.688 CA :: 55.470 CB :: 33.560 CG :: 25.338 CD :: 29.122 CE :: 41.832 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 :: 7.880 HA :: 4.545 HB2 :: 1.745 HB3 :: 1.745 HG2 :: 1.382 HG3 :: 1.382 HE2 :: 2.997 HE3 :: 2.997 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 :: 120.550 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.876 CA :: 62.670 CB :: 69.740 CG2 :: 22.719 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 :: 8.170 HA :: 4.585 HB :: 4.085 HG1 :: 5.351 HG2 :: 1.231 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 :: 117.430 Ave N Shift Values>> N :: 115.7(5.05) L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.34 L 0.22 C Shift Assignments>> C :: 172.487 CA :: 54.660 CB :: 46.240 CG :: 27.085 CD1 :: 25.921 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 :: 8.380 HA :: 4.782 HB2 :: 1.600 HB3 :: 1.600 HG :: 1.600 HD1 :: 0.884 HD2 :: 0.884 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 :: 125.330 Ave N Shift Values>> N :: 121.98(4.07) M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.32 E 0.2 Q 0.03 C Shift Assignments>> C :: 172.289 CA :: 54.600 CB :: 35.830 CG :: 32.518 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 :: 8.670 HA :: 4.604 HB2 :: 2.175 HB3 :: 2.175 HG2 :: 2.378 HG3 :: 2.378 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 :: 121.990 Ave N Shift Values>> N :: 120.1(3.88) M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 C 0.38 M 0.21 HN Overlap>> I83 C Shift Assignments>> C :: 172.558 CA :: 54.430 CB :: 36.640 CG :: 32.712 CE :: 20.099 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 :: 8.770 HA :: 4.919 HB2 :: 2.223 HB3 :: 2.223 HG2 :: 2.561 HG3 :: 2.675 HE :: 1.993 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 :: 120.450 Ave N Shift Values>> N :: 120.1(3.88) F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.17 Y 0.16 C 0.14 L 0.13 D 0.09 R 0.03 I 0.03 N 0.01 C Shift Assignments>> C :: 174.161 CA :: 57.280 CB :: 41.020 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 :: 8.670 HA :: 5.140 HB2 :: 3.045 HB3 :: 3.045 HD2 :: 7.936 HE1 :: 7.936 HZ :: 7.936 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 :: 123.020 Ave N Shift Values>> N :: 120.69(4.18) V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.39 I 0.01 C Shift Assignments>> C :: 172.624 CA :: 60.610 CB :: 35.910 CG1 :: 20.972 CG2 :: 22.622 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 :: 9.420 HA :: 5.189 HB :: 2.099 HG1 :: 0.910 HG2 :: 0.934 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 :: 122.580 Ave N Shift Values>> N :: 121.02(4.96) T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 172.727 CA :: 60.940 CB :: 70.650 CG2 :: 22.428 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 :: 8.520 HA :: 4.888 HB :: 4.331 HG2 :: 1.165 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 :: 122.100 Ave N Shift Values>> N :: 115.7(5.05) V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.372 CA :: 61.380 CB :: 33.060 CG1 :: 23.010 CG2 :: 21.846 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 :: 9.090 HA :: 5.007 HB :: 1.949 HG1 :: 1.195 HG2 :: 0.886 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 :: 130.220 Ave N Shift Values>> N :: 121.02(4.96) S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.483 CA :: 58.410 CB :: 65.490 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.070 HA :: 4.215 HB2 :: 3.549 HB3 :: 3.549 HG :: 5.548 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 :: 122.180 Ave N Shift Values>> N :: 116.3(3.95) G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 172.956 CA :: 46.510 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.910 HA2 :: 3.809 HA3 :: 3.809 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.790 Ave N Shift Values>> N :: 109.91(4.29) N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.2 D 0.11 Y 0.09 F 0.06 E 0.03 L 0.01 M 0.01 C Shift Assignments>> CA :: 53.410 CB :: 38.030 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 :: 8.940 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 :: 116.830 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.21 K 0.04 R 0.04 I 0.03 Q 0.02 C Shift Assignments>> C :: 176.250 CA :: 62.830 CB :: 32.850 CG :: 27.861 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 :: 4.616 HB2 :: 2.570 HB3 :: 2.546 HG2 :: 1.750 HG3 :: 1.750 HD2 :: 3.676 HD3 :: 3.676 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) T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.009 CA :: 60.660 CB :: 71.090 CG2 :: 22.040 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 :: 8.090 HA :: 4.663 HB :: 4.543 HG2 :: 1.381 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 :: 108.400 Ave N Shift Values>> N :: 115.7(5.05) E77 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 C Shift Assignments>> C :: 177.200 CA :: 60.480 CB :: 29.820 CG :: 36.593 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 :: 9.020 HA :: 4.164 HB2 :: 2.012 HB3 :: 2.012 HG2 :: 2.251 HG3 :: 2.251 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 :: 120.930 Ave N Shift Values>> N :: 120.68(3.68) K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.2 M 0.02 G 0.01 C Shift Assignments>> C :: 177.569 CA :: 59.010 CB :: 32.490 CG :: 24.853 CD :: 29.025 CE :: 42.220 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 :: 7.940 HA :: 4.075 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 1.445 HG3 :: 1.445 HD2 :: 1.692 HD3 :: 1.692 HE2 :: 2.953 HE3 :: 2.953 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 :: 117.850 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.16 K 0.07 M 0.04 Q 0.03 HN Overlap>> I102 C Shift Assignments>> C :: 177.475 CA :: 59.320 CB :: 29.880 CG :: 36.108 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 :: 7.670 HA :: 4.095 HB2 :: 2.263 HB3 :: 2.155 HG2 :: 2.418 HG3 :: 2.350 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 :: 120.510 Ave N Shift Values>> N :: 120.68(3.68) T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.061 CA :: 67.410 CB :: 70.070 CG2 :: 22.719 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 :: 8.860 HA :: 4.307 HB :: 3.652 HG2 :: 0.954 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 :: 120.550 Ave N Shift Values>> N :: 115.7(5.05) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 W 0.15 C 0.15 E 0.1 K 0.08 R 0.07 H 0.06 Q 0.06 V 0.04 P 0.01 M 0.01 C Shift Assignments>> C :: 176.062 CA :: 60.400 CB :: 29.180 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 :: 8.780 HA :: 4.071 HB2 :: 2.583 HB3 :: 2.583 HG2 :: 2.684 HG3 :: 2.684 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 :: 126.130 Ave N Shift Values>> N :: 120.68(3.68) E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 K 0.1 M 0.09 Q 0.06 I 0.01 HN Overlap>> K63 E137 C Shift Assignments>> C :: 178.146 CA :: 54.350 CB :: 29.830 CG :: 36.117 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 :: 7.920 HA :: 3.913 HB2 :: 2.173 HB3 :: 2.173 HG2 :: 2.387 HG3 :: 2.387 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 :: 120.550 Ave N Shift Values>> N :: 120.68(3.68) I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> M67 C Shift Assignments>> C :: 176.166 CA :: 64.960 CB :: 38.980 CG1 :: 29.607 CG2 :: 16.703 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 :: 8.780 HA :: 3.635 HB :: 1.780 HG12 :: 1.156 HG13 :: 1.156 HD1 :: 0.656 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 :: 120.450 Ave N Shift Values>> N :: 121.6(4.72) T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.534 CA :: 65.180 CB :: 69.730 CG2 :: 22.234 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 :: 7.870 HA :: 4.179 HB :: 4.167 HG1 :: 4.540 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 :: 105.640 Ave N Shift Values>> N :: 115.7(5.05) S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 176.249 CA :: 62.470 CB :: 64.980 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.960 HA :: 4.329 HB2 :: 3.967 HB3 :: 3.967 HG :: 4.660 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 :: 119.880 Ave N Shift Values>> N :: 116.3(3.95) L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.25 G 0.04 A 0.02 HN Overlap>> K61 C Shift Assignments>> C :: 173.250 CA :: 55.049 CB :: 42.658 CD1 :: 23.350 CD2 :: 23.350 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 :: 7.780 HA :: 4.267 HB2 :: 1.544 HB3 :: 1.544 HG :: 1.544 HD1 :: 0.823 HD2 :: 0.823 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 :: 122.024 Ave N Shift Values>> N :: 121.98(4.07) W87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.13 W 0.13 Q 0.13 C 0.12 K 0.09 M 0.07 I 0.01 C Shift Assignments>> C :: 176.981 CA :: 56.274 CB :: 30.140 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 :: 8.585 HA :: 4.868 HB2 :: 3.751 HB3 :: 3.204 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 :: 121.371 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.21 Q 0.17 R 0.09 P 0.06 E 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 176.229 CA :: 60.260 CB :: 28.230 CG :: 33.391 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 :: 8.740 HA :: 3.870 HB2 :: 2.284 HB3 :: 2.159 HG2 :: 2.621 HG3 :: 2.621 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 :: 118.470 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.24 P 0.04 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 175.373 CA :: 47.520 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.650 HA2 :: 4.028 HA3 :: 4.021 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.660 Ave N Shift Values>> N :: 109.91(4.29) S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.625 CA :: 62.120 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 :: 8.390 HA :: 4.311 HB2 :: 3.981 HB3 :: 3.906 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 :: 119.290 Ave N Shift Values>> N :: 116.3(3.95) L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.47 A 0.02 R 0.01 HN Overlap>> L32 C Shift Assignments>> C :: 174.625 CA :: 57.800 CB :: 41.400 CG :: 26.600 CD1 :: 23.698 CD2 :: 21.361 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 :: 8.130 HA :: 3.894 HB2 :: 1.636 HB3 :: 1.326 HG :: 1.314 HD1 :: 0.636 HD2 :: 0.660 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 :: 122.980 Ave N Shift Values>> N :: 121.98(4.07) F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 Y 0.22 F 0.21 C 0.18 E 0.02 C Shift Assignments>> C :: 179.321 CA :: 60.580 CB :: 38.720 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 :: 8.850 HA :: 4.422 HB2 :: 3.382 HB3 :: 3.382 HD1 :: 7.007 HD2 :: 7.007 HE1 :: 7.250 HE2 :: 7.250 HZ :: 7.040 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 :: 121.820 Ave N Shift Values>> N :: 120.69(4.18) N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.19 N 0.17 F 0.14 D 0.1 E 0.06 L 0.03 I 0.03 M 0.01 C Shift Assignments>> C :: 174.063 CA :: 55.540 CB :: 38.320 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 :: 8.250 HA :: 4.427 HB2 :: 2.928 HB3 :: 2.928 HD21 :: 7.008 HD22 :: 7.008 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 :: 119.570 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.01 C Shift Assignments>> C :: 173.500 CA :: 51.500 CB :: 18.530 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.350 HA :: 4.278 HB :: 1.295 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.080 Ave N Shift Values>> N :: 123.23(3.7) N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.19 N 0.16 M 0.09 Y 0.09 F 0.04 K 0.04 D 0.01 Q 0.01 I 0.01 C Shift Assignments>> C :: 172.875 CA :: 54.710 CB :: 36.480 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 :: 7.690 HA :: 4.087 HB2 :: 2.630 HB3 :: 2.812 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 :: 110.270 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.22 C 0.19 D 0.11 L 0.06 N 0.06 I 0.05 E 0.02 K 0.01 C Shift Assignments>> C :: 173.328 CA :: 56.710 CB :: 39.380 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 :: 7.830 HA :: 4.461 HB2 :: 2.531 HB3 :: 2.531 HD1 :: 6.976 HD2 :: 6.976 HE1 :: 6.987 HE2 :: 6.987 HH :: 9.139 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 :: 117.380 Ave N Shift Values>> N :: 120.79(4.69) D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.18 N 0.12 C 0.11 K 0.1 F 0.07 Y 0.05 R 0.02 C Shift Assignments>> C :: 174.000 CA :: 53.660 CB :: 41.150 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 :: 8.400 HA :: 4.789 HB2 :: 2.870 HB3 :: 2.538 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 :: 123.010 Ave N Shift Values>> N :: 120.73(4.2) V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.27 I 0.01 C Shift Assignments>> C :: 174.786 CA :: 58.970 CB :: 35.720 CG1 :: 22.428 CG2 :: 20.875 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 :: 7.730 HA :: 5.166 HB :: 2.134 HG1 :: 0.993 HG2 :: 0.898 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 :: 119.400 Ave N Shift Values>> N :: 121.02(4.96) Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.33 Q 0.14 E 0.04 K 0.02 C Shift Assignments>> C :: 174.943 CA :: 54.430 CB :: 32.350 CG :: 33.391 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 :: 8.580 HA :: 4.623 HB2 :: 2.158 HB3 :: 2.158 HG2 :: 2.580 HG3 :: 2.580 HE21 :: 7.722 HE22 :: 7.722 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 :: 122.260 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.27 K 0.23 G 0.1 HN Overlap>> I6 F101 I121 C Shift Assignments>> C :: 174.938 CA :: 54.620 CB :: 32.350 CG :: 29.413 CD :: 43.419 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 :: 8.060 HA :: 4.629 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.517 HG3 :: 1.517 HD2 :: 3.113 HD3 :: 3.113 HH11 :: 6.734 HH12 :: 6.734 HH21 :: 6.734 HH22 :: 6.734 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 :: 121.510 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.16 F 0.14 C 0.12 R 0.11 Y 0.11 D 0.07 I 0.02 HN Overlap>> I6 R100 I121 C Shift Assignments>> C :: 177.092 CA :: 57.400 CB :: 41.810 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 :: 8.060 HA :: 4.085 HB2 :: 2.613 HB3 :: 2.613 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 :: 121.510 Ave N Shift Values>> N :: 120.69(4.18) I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> E79 C Shift Assignments>> C :: 174.628 CA :: 61.203 CB :: 38.744 CG1 :: 27.746 CG2 :: 17.674 CD1 :: 14.723 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 :: 7.584 HA :: 4.833 HG2 :: 0.684 HG12 :: 1.528 HG13 :: 1.528 HD1 :: 0.660 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 :: 120.516 Ave N Shift Values>> N :: 121.6(4.72) V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 HN Overlap>> F110 C Shift Assignments>> C :: 173.163 CA :: 60.790 CB :: 33.030 CG1 :: 19.226 CG2 :: 21.846 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 :: 9.170 HA :: 4.684 HB :: 2.356 HG1 :: 0.851 HG2 :: 0.716 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 :: 125.940 Ave N Shift Values>> N :: 121.02(4.96) G104 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>> C :: 171.323 CA :: 45.080 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.130 HA2 :: 4.245 HA3 :: 4.090 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.780 Ave N Shift Values>> N :: 109.91(4.29) S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.625 CA :: 61.940 CB :: 62.860 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.760 HA :: 4.565 HB2 :: 3.929 HB3 :: 3.929 HG :: 5.360 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 :: 114.540 Ave N Shift Values>> N :: 116.3(3.95) D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 C 0.11 K 0.09 R 0.08 N 0.08 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.000 CA :: 52.460 CB :: 42.210 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 :: 7.910 HA :: 4.727 HB2 :: 2.562 HB3 :: 2.562 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 :: 114.770 Ave N Shift Values>> N :: 120.73(4.2) R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.26 R 0.06 K 0.05 C Shift Assignments>> C :: 172.850 CA :: 54.680 CB :: 35.400 CG :: 27.085 CD :: 43.870 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 :: 7.060 HA :: 4.698 HB2 :: 1.752 HB3 :: 1.752 HG2 :: 1.603 HG3 :: 1.603 HD2 :: 3.077 HD3 :: 3.077 HE :: 7.825 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 :: 116.580 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.27 P 0.15 A 0.09 K 0.06 M 0.04 R 0.01 G 0.01 C Shift Assignments>> C :: 174.070 CA :: 49.930 CB :: 23.750 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.160 HA :: 4.711 HB :: 1.224 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.100 Ave N Shift Values>> N :: 123.23(3.7) I109 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>> C :: 173.198 CA :: 60.060 CB :: 41.530 CG1 :: 27.764 CG2 :: 17.674 CD1 :: 14.723 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 :: 9.300 HA :: 4.785 HG2 :: 0.708 HG12 :: 1.540 HG13 :: 1.540 HD1 :: 0.589 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 :: 120.130 Ave N Shift Values>> N :: 121.6(4.72) F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 F 0.16 L 0.15 Y 0.14 C 0.13 K 0.13 N 0.04 R 0.02 I 0.02 HN Overlap>> V103 C Shift Assignments>> C :: 172.651 CA :: 56.220 CB :: 40.780 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 :: 9.140 HA :: 5.229 HB2 :: 2.846 HB3 :: 2.551 HD1 :: 7.514 HD2 :: 7.514 HE1 :: 8.190 HE2 :: 8.190 HZ :: 8.190 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 :: 125.940 Ave N Shift Values>> N :: 120.69(4.18) M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.32 E 0.21 Q 0.05 K 0.01 C Shift Assignments>> C :: 172.670 CA :: 54.320 CB :: 35.610 CG :: 32.033 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 :: 9.340 HA :: 5.030 HB2 :: 2.224 HB3 :: 2.224 HG2 :: 2.252 HG3 :: 2.252 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 :: 123.560 Ave N Shift Values>> N :: 120.1(3.88) L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.23 G 0.08 R 0.08 A 0.01 C Shift Assignments>> C :: 173.114 CA :: 54.480 CB :: 43.220 CG :: 27.142 CD1 :: 24.978 CD2 :: 23.643 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 :: 9.220 HA :: 4.639 HB2 :: 1.660 HB3 :: 1.573 HG :: 1.442 HD1 :: 0.739 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 :: 128.450 Ave N Shift Values>> N :: 121.98(4.07) R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.05 L 0.01 HN Overlap>> Y9 I27 C Shift Assignments>> C :: 174.250 CA :: 57.890 CB :: 29.830 CG :: 27.570 CD :: 43.097 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 :: 7.920 HA :: 4.123 HB2 :: 1.784 HB3 :: 1.784 HG2 :: 1.635 HG3 :: 1.635 HD2 :: 3.051 HD3 :: 3.051 HE :: 7.852 HH11 :: 6.243 HH12 :: 6.564 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 :: 120.360 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 C 0.11 K 0.09 N 0.08 R 0.08 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.747 CA :: 52.540 CB :: 42.110 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 :: 7.870 HA :: 4.700 HB2 :: 3.034 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 :: 115.300 Ave N Shift Values>> N :: 120.73(4.2) G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 173.736 CA :: 47.420 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.830 HA2 :: 3.842 HA3 :: 3.771 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.480 Ave N Shift Values>> N :: 109.91(4.29) S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.438 CA :: 61.740 CB :: 62.610 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.540 HA :: 4.211 HB2 :: 3.664 HB3 :: 3.664 HG :: 5.637 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 :: 116.940 Ave N Shift Values>> N :: 116.3(3.95) Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.25 F 0.17 E 0.12 I 0.1 D 0.02 N 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 174.912 CA :: 57.710 CB :: 37.950 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 :: 7.260 HA :: 4.328 HB2 :: 2.980 HB3 :: 2.980 HD1 :: 6.937 HD2 :: 6.937 HE1 :: 6.882 HE2 :: 6.868 HH :: 9.320 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 :: 117.380 Ave N Shift Values>> N :: 120.79(4.69) A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.18 C 0.08 V 0.07 L 0.05 T 0.04 I 0.02 HN Overlap>> L17 C Shift Assignments>> C :: 176.687 CA :: 56.320 CB :: 20.060 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.700 HA :: 4.039 HB :: 1.184 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.050 Ave N Shift Values>> N :: 123.23(3.7) W119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.15 H 0.13 W 0.11 R 0.11 C 0.11 E 0.1 L 0.04 M 0.02 I 0.02 C Shift Assignments>> C :: 176.520 CA :: 56.380 CB :: 28.660 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 :: 8.340 HA :: 4.486 HB2 :: 3.308 HB3 :: 3.308 HD1 :: 7.988 HE3 :: 7.988 HZ2 :: 7.988 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 :: 118.160 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.1 I 0.08 Q 0.05 M 0.05 HN Overlap>> E22 C Shift Assignments>> C :: 175.188 CA :: 57.520 CB :: 29.610 CG :: 36.179 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 :: 8.090 HA :: 4.626 HB2 :: 2.171 HB3 :: 2.171 HG2 :: 2.428 HG3 :: 2.428 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 :: 120.500 Ave N Shift Values>> N :: 120.68(3.68) I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 HN Overlap>> I6 R100 F101 C Shift Assignments>> C :: 175.022 CA :: 61.720 CB :: 38.700 CG1 :: 27.424 CG2 :: 17.736 CD1 :: 13.416 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 :: 8.070 HA :: 4.036 HB :: 1.760 HG2 :: 0.794 HG12 :: 1.188 HG13 :: 1.105 HD1 :: 0.794 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 :: 121.510 Ave N Shift Values>> N :: 121.6(4.72) K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.14 M 0.03 C Shift Assignments>> C :: 174.563 CA :: 56.630 CB :: 33.470 CG :: 24.856 CD :: 29.292 CE :: 41.665 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 :: 8.340 HA :: 4.230 HB2 :: 1.732 HB3 :: 1.732 HG2 :: 1.374 HG3 :: 1.374 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.911 HE3 :: 2.911 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 :: 123.420 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.23 K 0.15 C 0.1 R 0.07 F 0.06 N 0.05 Y 0.05 HN Overlap>> D5 E29 C Shift Assignments>> C :: 173.353 CA :: 54.270 CB :: 41.760 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 :: 8.410 HA :: 4.578 HB2 :: 2.598 HB3 :: 2.598 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 :: 122.320 Ave N Shift Values>> N :: 120.73(4.2) F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.19 I 0.17 L 0.02 D 0.02 E 0.01 K 0.01 C Shift Assignments>> CA :: 59.040 CB :: 39.440 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 :: 7.470 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 :: 124.230 Ave N Shift Values>> N :: 120.69(4.18) L125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 174.896 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>> HA :: 4.532 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) V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 175.500 CA :: 64.870 CB :: 30.880 CG1 :: 22.288 CG2 :: 22.172 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 :: 3.896 HB :: 2.126 HG1 :: 0.865 HG2 :: 0.865 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 :: 122.470 Ave N Shift Values>> N :: 121.02(4.96) S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.521 CA :: 58.710 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 :: 6.910 HA :: 4.274 HB2 :: 3.796 HB3 :: 3.796 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 :: 113.060 Ave N Shift Values>> N :: 116.3(3.95) Q128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 C 0.26 R 0.18 Q 0.15 M 0.09 E 0.01 C Shift Assignments>> C :: 176.062 CA :: 53.890 CB :: 28.630 CG :: 32.210 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 :: 7.540 HA :: 4.422 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 :: 120.240 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.11 C 0.11 N 0.1 F 0.08 Y 0.07 R 0.02 HN Overlap>> D13 C Shift Assignments>> C :: 177.187 CA :: 54.340 CB :: 41.070 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 :: 8.180 HA :: 4.132 HB2 :: 2.254 HB3 :: 2.254 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 :: 118.640 Ave N Shift Values>> N :: 120.73(4.2) R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.44 R 0.09 HN Overlap>> M58 C Shift Assignments>> C :: 176.188 CA :: 56.420 CB :: 32.880 CG :: 28.942 CD :: 45.167 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 :: 7.920 HA :: 4.341 HB2 :: 1.724 HB3 :: 1.714 HG2 :: 1.431 HG3 :: 1.431 HD2 :: 2.856 HD3 :: 2.856 HE :: 7.682 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 :: 117.690 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) C131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.19 D 0.14 K 0.14 C 0.1 F 0.06 Y 0.04 G 0.01 N 0.01 HN Overlap>> K46 C Shift Assignments>> C :: 175.571 CA :: 55.050 CB :: 42.670 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.800 HA :: 4.444 HB2 :: 2.648 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 :: 121.780 Ave N Shift Values>> N :: 119.95(4.79) A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.37 C 0.03 C Shift Assignments>> C :: 177.562 CA :: 54.070 CB :: 18.980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.210 HA :: 4.277 HB :: 1.262 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.840 Ave N Shift Values>> N :: 123.23(3.7) E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.31 E 0.19 Q 0.03 C Shift Assignments>> C :: 173.119 CA :: 55.580 CB :: 32.910 CG :: 35.596 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 :: 7.560 HA :: 4.257 HB2 :: 2.069 HB3 :: 2.069 HG2 :: 2.246 HG3 :: 2.246 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 :: 114.870 Ave N Shift Values>> N :: 120.68(3.68) V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.16 HN Overlap>> Y141 C Shift Assignments>> C :: 174.031 CA :: 60.660 CB :: 35.700 CG1 :: 24.389 CG2 :: 22.522 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 :: 8.700 HA :: 4.970 HB :: 1.866 HG1 :: 0.826 HG2 :: 0.826 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 :: 121.510 Ave N Shift Values>> N :: 121.02(4.96) T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.084 CA :: 61.920 CB :: 70.040 CG2 :: 21.121 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 :: 9.470 HA :: 4.123 HB :: 4.123 HG1 :: 5.492 HG2 :: 1.045 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 :: 123.510 Ave N Shift Values>> N :: 115.7(5.05) L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.32 C 0.17 A 0.01 C Shift Assignments>> C :: 175.100 CA :: 54.080 CB :: 45.380 CG :: 27.191 CD1 :: 24.623 CD2 :: 23.689 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 :: 8.990 HA :: 4.624 HB2 :: 1.500 HB3 :: 1.616 HG :: 1.500 HD1 :: 0.840 HD2 :: 0.840 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 :: 127.780 Ave N Shift Values>> N :: 121.98(4.07) E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 W 0.13 E 0.13 C 0.12 Q 0.1 M 0.09 K 0.08 V 0.01 I 0.01 HN Overlap>> I27 K63 E82 C Shift Assignments>> C :: 175.027 CA :: 56.610 CB :: 30.730 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 :: 7.890 HA :: 4.008 HB2 :: 2.214 HB3 :: 2.214 HG2 :: 2.390 HG3 :: 2.390 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 :: 120.500 Ave N Shift Values>> N :: 120.68(3.68) G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.553 CA :: 45.410 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.750 HA2 :: 3.546 HA3 :: 3.546 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.070 Ave N Shift Values>> N :: 109.91(4.29) Q139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 C 0.26 Q 0.23 K 0.12 E 0.07 R 0.01 HN Overlap>> W21 K23 C Shift Assignments>> C :: 171.568 CA :: 54.160 CB :: 30.816 CG :: 33.529 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 :: 7.887 HA :: 4.452 HB2 :: 2.112 HB3 :: 2.112 HG2 :: 2.261 HG3 :: 2.261 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 :: 120.701 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 C 0.2 M 0.2 K 0.17 E 0.06 H 0.03 W 0.03 R 0.03 V 0.01 Y 0.01 C Shift Assignments>> C :: 174.817 CA :: 55.680 CB :: 33.960 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 :: 8.260 HA :: 4.489 HB2 :: 2.060 HB3 :: 2.060 HG2 :: 2.345 HG3 :: 2.345 HE :: 1.911 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 :: 124.160 Ave N Shift Values>> N :: 120.1(3.88) Y141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.1 E 0.1 W 0.09 Y 0.08 R 0.08 F 0.08 K 0.08 Q 0.07 H 0.06 S 0.06 M 0.05 L 0.04 D 0.01 I 0.01 V 0.01 HN Overlap>> V134 C Shift Assignments>> CA :: 57.490 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 :: 8.720 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 :: 121.510 Ave N Shift Values>> N :: 120.79(4.69) P142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.18 R 0.03 I 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.000 CA :: 63.050 CB :: 32.760 CG :: 27.308 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 :: 4.672 HB2 :: 2.378 HB3 :: 2.378 HG2 :: 2.046 HG3 :: 2.046 HD2 :: 3.767 HD3 :: 3.767 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) G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 173.065 CA :: 43.680 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.860 HA2 :: 3.896 HA3 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.360 Ave N Shift Values>> N :: 109.91(4.29) K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.13 M 0.03 C Shift Assignments>> C :: 175.875 CA :: 57.730 CB :: 33.170 CG :: 24.623 CD :: 29.175 CE :: 41.899 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 :: 7.800 HA :: 4.081 HB2 :: 1.764 HB3 :: 1.764 HG2 :: 1.435 HG3 :: 1.435 HD2 :: 1.656 HD3 :: 1.656 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 :: 119.990 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G145 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 :: 46.400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.150 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.830 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 145 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 144 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 145 #Suspicious: 0 C Shift Results: #Consistent: 564 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 808 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 136 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0