M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.44 C 0.41 A 0.13 I 0.01 C Shift Assignments>> CA :: 55.393 CB :: 34.367 CG :: 31.047 CE :: 16.693 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>> HA :: 3.800 HB2 :: 1.949 HB3 :: 1.949 HG2 :: 2.489 HG3 :: 2.489 HE :: 2.040 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) K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 C Shift Assignments>> CA :: 56.237 CB :: 33.067 CG :: 24.575 CD :: 28.799 CE :: 42.044 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.258 HB2 :: 1.690 HB3 :: 1.690 HG2 :: 1.198 HG3 :: 1.313 HD2 :: 1.546 HD3 :: 1.546 HE2 :: 2.868 HE3 :: 2.868 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) R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.13 G 0.06 C Shift Assignments>> C :: 175.200 CA :: 55.456 CB :: 31.727 CG :: 26.834 CD :: 43.221 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 :: 8.135 HA :: 4.197 HB2 :: 1.617 HB3 :: 1.617 HG2 :: 1.428 HG3 :: 1.428 HD2 :: 3.101 HD3 :: 3.101 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 :: 123.010 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.463 CA :: 60.220 CB :: 38.069 CG1 :: 27.436 CG2 :: 16.870 CD1 :: 11.338 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 :: 8.437 HA :: 3.803 HB :: 1.229 HG2 :: -0.048 HG12 :: 0.804 HG13 :: 0.544 HD1 :: -0.082 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.144 Ave N Shift Values>> N :: 121.6(4.72) V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 A 0.01 C Shift Assignments>> C :: 174.006 CA :: 58.778 CB :: 32.594 CG1 :: 20.333 CG2 :: 20.414 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 :: 8.334 HA :: 4.327 HB :: 1.932 HG1 :: 0.804 HG2 :: 0.804 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 :: 128.411 Ave N Shift Values>> N :: 121.02(4.96) P6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> CA :: 61.934 CB :: 31.431 CG :: 26.127 CD :: 50.534 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 :: 4.010 HB2 :: 1.534 HB3 :: 0.703(S) HG2 :: 1.441 HG3 :: 0.986 HD2 :: 3.633 HD3 :: 2.853 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) K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.46 R 0.05 HN Overlap>> V178 C Shift Assignments>> C :: 176.140 CA :: 55.924 CB :: 31.865 CG :: 23.692 CE :: 41.511 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 :: 8.813 HA :: 4.078 HB2 :: 1.691 HB3 :: 1.691 HG2 :: 1.593 HG3 :: 1.079 HE2 :: 2.945 HE3 :: 2.945 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 :: 120.967 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.31 F 0.14 G 0.03 C Shift Assignments>> CA :: 56.416 CB :: 42.247 CD2 :: 134.688 CE1 :: 131.041 CE2 :: 131.041 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 :: 7.136 HA :: 4.821 HB2 :: 3.301 HB3 :: 2.881 HD1 :: 7.623 HD2 :: 7.623 HE1 :: 7.367 HE2 :: 7.367 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 :: 110.929 Ave N Shift Values>> N :: 120.69(4.18) T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.829 CA :: 61.636 CB :: 70.843 CG2 :: 20.720 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 :: 8.573 HA :: 5.381 HB :: 4.045 HG2 :: 1.198 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 :: 117.550 Ave N Shift Values>> N :: 115.7(5.05) E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.31 Q 0.15 E 0.07 K 0.03 HN Overlap>> N242 C Shift Assignments>> C :: 175.169 CA :: 53.925 CB :: 31.997 CG :: 33.937 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 :: 8.585 HA :: 5.085 HB2 :: 2.089 HB3 :: 1.963 HG2 :: 2.364 HG3 :: 2.364 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 :: 125.223 Ave N Shift Values>> N :: 120.68(3.68) I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 174.939 CA :: 60.662 CB :: 40.198 CG1 :: 28.092 CG2 :: 17.453 CD1 :: 13.918 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 :: 9.122 HA :: 5.040 HB :: 1.797 HG2 :: 0.802 HG12 :: 1.196 HG13 :: 1.588 HD1 :: 0.891 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.712 Ave N Shift Values>> N :: 121.6(4.72) F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.3 Y 0.16 C Shift Assignments>> C :: 172.727 CA :: 50.952 CB :: 40.849 CD1 :: 131.614 CD2 :: 131.614 CE1 :: 131.178 CE2 :: 131.178 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 :: 9.050 HA :: 5.186 HB2 :: 2.918 HB3 :: 2.035 HD1 :: 7.064 HD2 :: 7.064 HE1 :: 6.770 HE2 :: 6.770 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 :: 128.151 Ave N Shift Values>> N :: 120.69(4.18) P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.88 P 0.11 C Shift Assignments>> CA :: 60.656 CB :: 28.451 CD :: 50.457 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 :: 4.965 HB2 :: 2.187 HB3 :: 1.808 HG2 :: 1.667 HG3 :: 1.922 HD2 :: 2.859 HD3 :: 3.472 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) V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> F182 C Shift Assignments>> C :: 176.016 CA :: 64.698 CB :: 32.915 CG1 :: 22.703 CG2 :: 22.716 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 :: 7.796 HA :: 2.800 HB :: 1.445 HG1 :: 0.683 HG2 :: 0.620 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.109 Ave N Shift Values>> N :: 121.02(4.96) E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.16 I 0.11 R 0.04 E 0.04 C Shift Assignments>> C :: 175.938 CA :: 56.700 CB :: 30.629 CG :: 40.097 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 :: 8.337 HA :: 4.213 HB2 :: 2.267 HB3 :: 1.828 HG2 :: 2.207 HG3 :: 2.207 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.656 Ave N Shift Values>> N :: 120.68(3.68) D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.17 L 0.16 C 0.11 K 0.07 F 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 175.506 CA :: 53.253 CB :: 40.898 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 :: 7.445 HA :: 4.616 HB2 :: 3.336 HB3 :: 2.454 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 :: 119.986 Ave N Shift Values>> N :: 120.73(4.2) A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 C 0.02 I 0.01 HN Overlap>> L47 C Shift Assignments>> C :: 177.998 CA :: 54.080 CB :: 18.414 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.411 HA :: 3.955 HB :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.694 Ave N Shift Values>> N :: 123.23(3.7) N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.33 C 0.2 C Shift Assignments>> C :: 173.986 CA :: 53.598 CB :: 38.873 CG :: 177.595 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 :: 8.608 HA :: 4.691 HB2 :: 2.894 HB3 :: 2.894 HD21 :: 7.882 HD22 :: 6.923 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 :: 114.451 ND2 :: 114.424 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.46 C 0.38 F 0.14 C Shift Assignments>> C :: 173.340 CA :: 55.021 CB :: 39.024 CD1 :: 133.357 CD2 :: 133.364 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 :: 8.316 HA :: 4.991 HB2 :: 3.657 HB3 :: 2.848 HD1 :: 7.215 HD2 :: 7.215 HE1 :: 6.739 HE2 :: 6.739 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 :: 125.701 Ave N Shift Values>> N :: 120.79(4.69) P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 62.438 CB :: 32.218 CG :: 26.966 CD :: 50.745 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 :: 4.771 HB2 :: 2.479 HB3 :: 2.036 HG2 :: 1.976 HG3 :: 1.976 HD2 :: 4.019 HD3 :: 3.383 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) Y21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.3 C 0.27 Y 0.11 E 0.11 V 0.07 F 0.06 M 0.01 K 0.01 C Shift Assignments>> C :: 177.419 CA :: 61.244 CB :: 36.355 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 :: 8.503 HA :: 3.783 HB2 :: 2.458 HB3 :: 1.359(S) HD1 :: 6.533 HD2 :: 6.533 HE1 :: 6.849 HE2 :: 6.849 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 :: 125.581 Ave N Shift Values>> N :: 120.79(4.69) S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.283 CA :: 60.433 CB :: 61.367 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.215 HA :: 3.527 HB2 :: 3.791 HB3 :: 3.791 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.671 Ave N Shift Values>> N :: 116.3(3.95) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 179.632 CA :: 54.576 CB :: 18.061 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.052 HA :: 4.163 HB :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.829 Ave N Shift Values>> N :: 123.23(3.7) F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 C 0.35 F 0.15 C Shift Assignments>> C :: 175.741 CA :: 59.703 CB :: 38.261 CE1 :: 132.647 CE2 :: 132.647 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 :: 6.933 HA :: 4.434 HB2 :: 2.653 HB3 :: 2.482 HD1 :: 6.897 HD2 :: 6.897 HE1 :: 6.888 HE2 :: 6.888 HZ :: 6.873 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 :: 121.429 Ave N Shift Values>> N :: 120.69(4.18) I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 I 0.02 C Shift Assignments>> C :: 177.784 CA :: 60.618 CB :: 35.099 CG1 :: 26.133 CG2 :: 16.851 CD1 :: 7.127 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 :: 7.396 HA :: 3.030 HB :: 1.562 HG2 :: 0.578 HG12 :: 0.657 HG13 :: 0.657 HD1 :: 0.405 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.678 Ave N Shift Values>> N :: 121.6(4.72) A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.04 C 0.03 C Shift Assignments>> C :: 180.507 CA :: 55.287 CB :: 18.161 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.934 HA :: 3.868 HB :: 1.387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.299 Ave N Shift Values>> N :: 123.23(3.7) S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.141 CA :: 61.639 CB :: 62.913 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.753 HA :: 4.007 HB2 :: 3.974 HB3 :: 3.974 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.985 Ave N Shift Values>> N :: 116.3(3.95) V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 HN Overlap>> D153 C Shift Assignments>> C :: 178.687 CA :: 66.052 CB :: 30.491 CG1 :: 23.015 CG2 :: 24.547 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 :: 7.851 HA :: 3.568 HB :: 1.554 HG1 :: 0.426 HG2 :: 0.751 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.060 Ave N Shift Values>> N :: 121.02(4.96) R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.4 R 0.12 HN Overlap>> T85 C Shift Assignments>> C :: 177.469 CA :: 61.602 CB :: 30.394 CG :: 29.800 CD :: 44.305 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 :: 8.648 HA :: 3.569 HB2 :: 1.945 HB3 :: 1.580 HG2 :: 1.351 HG3 :: 1.927 HD2 :: 2.991 HD3 :: 2.991 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 :: 117.974 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.01 HN Overlap>> K230 C Shift Assignments>> C :: 178.307 CA :: 59.993 CB :: 31.672 CG :: 24.841 CD :: 29.238 CE :: 41.989 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 :: 7.544 HA :: 3.814 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 1.540 HG3 :: 1.352 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.946 HE3 :: 2.946 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.143 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.25 Y 0.23 F 0.16 E 0.11 N 0.06 I 0.06 D 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 177.243 CA :: 56.736 CB :: 38.066 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 :: 7.033 HA :: 4.128 HB2 :: 2.107 HB3 :: 0.987(S) 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 :: 119.168 Ave N Shift Values>> N :: 120.73(4.2) V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 179.383 CA :: 66.380 CB :: 32.031 CG1 :: 24.071 CG2 :: 22.006 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 :: 8.074 HA :: 3.778 HB :: 2.212 HG1 :: 1.028 HG2 :: 0.845 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 :: 119.691 Ave N Shift Values>> N :: 121.02(4.96) I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.09 C Shift Assignments>> C :: 177.812 CA :: 65.757 CB :: 38.206 CG1 :: 31.415 CG2 :: 17.343 CD1 :: 13.815 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 :: 8.744 HA :: 4.008 HB :: 1.847 HG2 :: 0.908 HG12 :: 0.889 HG13 :: 1.837 HD1 :: 0.802 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 :: 120.239 Ave N Shift Values>> N :: 121.6(4.72) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.23 V 0.06 Q 0.05 M 0.04 K 0.03 P 0.01 C Shift Assignments>> C :: 177.218 CA :: 59.168 CB :: 32.310 CD :: 25.304 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 :: 7.248 HA :: 4.008 HB2 :: 1.962 HB3 :: 1.739 HG2 :: 1.452 HG3 :: 1.452 HD2 :: 1.542 HD3 :: 1.542 HE2 :: 2.984 HE3 :: 2.984 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 :: 120.073 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 C 0.13 W 0.12 E 0.12 M 0.11 Q 0.1 K 0.08 V 0.01 HN Overlap>> V163 S205 C Shift Assignments>> C :: 174.840 CA :: 56.300 CB :: 30.902 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 :: 8.201 HA :: 4.571 HB2 :: 3.488 HB3 :: 3.053 HD2 :: 7.075 HE1 :: 7.913 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 :: 116.480 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 V 0.13 R 0.1 E 0.1 K 0.07 H 0.06 M 0.06 I 0.05 Q 0.04 P 0.02 HN Overlap>> K157 C Shift Assignments>> C :: 174.242 CA :: 59.851 CB :: 31.377 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.455 HA :: 4.870 HB2 :: 3.064 HB3 :: 2.797 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 :: 117.815 Ave N Shift Values>> N :: 119.95(4.79) T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 172.949 CA :: 60.313 CB :: 71.623 CG2 :: 22.140 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 :: 9.087 HA :: 4.665 HB :: 4.173 HG2 :: 1.201 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 :: 112.053 Ave N Shift Values>> N :: 115.7(5.05) D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 C 0.11 R 0.11 K 0.09 N 0.06 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 175.480 CA :: 52.674 CB :: 42.445 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 :: 8.178 HA :: 5.063 HB2 :: 2.566 HB3 :: 2.461 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 :: 120.233 Ave N Shift Values>> N :: 120.73(4.2) H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.19 Q 0.17 K 0.17 H 0.06 R 0.06 W 0.05 E 0.02 V 0.01 C Shift Assignments>> C :: 174.953 CA :: 54.825 CB :: 33.255 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.447 HA :: 4.574 HB2 :: 2.751 HB3 :: 2.751 HD2 :: 6.894 HE1 :: 8.099 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 :: 125.504 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.42 K 0.31 R 0.23 G 0.01 M 0.01 C Shift Assignments>> CA :: 57.043 CB :: 35.710 CG :: 24.940 CD :: 29.339 CE :: 42.333 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.694 HB2 :: 1.984 HB3 :: 1.863 HG2 :: 1.535 HG3 :: 1.606 HD2 :: 1.752 HD3 :: 1.752 HE2 :: 3.050 HE3 :: 3.050 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) G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 HN Overlap>> G97 C Shift Assignments>> C :: 172.930 CA :: 45.282 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.431 HA2 :: 3.640 HA3 :: 4.195 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.322 Ave N Shift Values>> N :: 109.91(4.29) I42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.950 CA :: 60.956 CB :: 38.635 CG1 :: 27.187 CG2 :: 16.804 CD1 :: 11.231 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.958 HA :: 4.190 HB :: 1.829 HG2 :: 0.913 HG12 :: 0.456 HG13 :: 1.056 HD1 :: -0.545(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.085 Ave N Shift Values>> N :: 121.6(4.72) F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 I 0.24 C 0.18 L 0.01 E 0.01 C Shift Assignments>> C :: 176.073 CA :: 59.865 CB :: 39.442 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 :: 8.828 HA :: 4.341 HB2 :: 3.076 HB3 :: 2.841 HD1 :: 7.265 HD2 :: 7.265 HE1 :: 7.276 HE2 :: 7.276 HZ :: 7.275 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 :: 128.120 Ave N Shift Values>> N :: 120.69(4.18) Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.31 Q 0.09 D 0.02 HN Overlap>> D140 C Shift Assignments>> C :: 172.935 CA :: 55.740 CB :: 27.426 CG :: 36.299 CD :: 180.334 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 :: 8.247 HA :: 4.587 HB2 :: 2.101 HB3 :: 2.101 HG2 :: 2.415 HG3 :: 2.415 HE21 :: 7.220 HE22 :: 6.861 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 :: 118.900 NE2 :: 108.454 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.41 V 0.35 C 0.08 I 0.07 W 0.03 R 0.01 C Shift Assignments>> CA :: 63.272 CB :: 31.755 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 :: 4.413 HB2 :: 2.307 HB3 :: 1.839 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.226 CA :: 61.421 CB :: 32.008 CG1 :: 21.301 CG2 :: 21.345 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 :: 8.346 HA :: 4.444 HB :: 2.106 HG1 :: 0.761 HG2 :: 0.761 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 :: 121.491 Ave N Shift Values>> N :: 121.02(4.96) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 R 0.16 K 0.02 HN Overlap>> A17 C Shift Assignments>> C :: 174.014 CA :: 55.075 CB :: 41.441 CG :: 27.766 CD1 :: 26.517 CD2 :: 26.493 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.329 HA :: 4.891 HB2 :: 2.021 HB3 :: 2.021 HG :: 1.757 HD1 :: 1.069 HD2 :: 1.069 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 :: 127.753 Ave N Shift Values>> N :: 121.98(4.07) P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> CA :: 61.368 CB :: 30.779 CG :: 27.589 CD :: 49.494 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 :: 4.831 HB2 :: 1.778 HB3 :: 2.512 HG2 :: 1.695 HG3 :: 2.155 HD2 :: 3.689 HD3 :: 3.802 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) P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 62.950 CB :: 32.146 CG :: 27.418 CD :: 50.078 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 :: 4.132 HB2 :: 2.119 HB3 :: 1.756 HG2 :: 1.973 HG3 :: 2.033 HD2 :: 3.685 HD3 :: 3.685 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) E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 M 0.12 I 0.04 K 0.03 Q 0.01 HN Overlap>> R131 C Shift Assignments>> C :: 175.947 CA :: 56.530 CB :: 30.859 CG :: 36.771 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 :: 8.374 HA :: 4.444 HB2 :: 1.899 HB3 :: 1.801 HG2 :: 1.901 HG3 :: 2.095 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 :: 122.665 Ave N Shift Values>> N :: 120.68(3.68) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.29 R 0.14 G 0.01 M 0.01 A 0.01 C Shift Assignments>> C :: 175.573 CA :: 53.914 CB :: 36.515 CG :: 24.263 CD :: 29.110 CE :: 42.056 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 :: 7.064 HA :: 4.560 HB2 :: 1.461 HB3 :: 1.801 HG2 :: 1.371 HG3 :: 1.371 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.962 HE3 :: 2.962 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 :: 123.893 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.98 G 0.01 C Shift Assignments>> CB :: 32.160 CG :: 24.957 CD :: 29.050 CE :: 41.930 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 3.960 HB2 :: 1.817 HB3 :: 1.817 HG2 :: 1.562 HG3 :: 1.562 HE2 :: 3.032 HE3 :: 3.032 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) V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 173.387 CA :: 59.006 CB :: 32.408 CG1 :: 20.810 CG2 :: 20.810 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 :: 7.683 HA :: 4.530 HB :: 2.000 HG1 :: 0.911 HG2 :: 0.967 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.156 Ave N Shift Values>> N :: 121.02(4.96) P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.827 CB :: 31.509 CG :: 27.001 CD :: 51.089 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 :: 4.115 HB2 :: 1.918 HB3 :: 1.195 HG2 :: 1.548 HD2 :: 3.950 HD3 :: 3.730 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) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.32 M 0.21 Q 0.01 I 0.01 K 0.01 C Shift Assignments>> C :: 176.226 CA :: 56.157 CB :: 31.918 CG :: 36.441 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 :: 8.785 HA :: 4.531 HB2 :: 2.119 HB3 :: 1.896 HG2 :: 2.297 HG3 :: 2.236 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 :: 118.995 Ave N Shift Values>> N :: 120.68(3.68) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.22 C 0.19 R 0.02 A 0.01 C Shift Assignments>> C :: 174.389 CA :: 53.997 CB :: 45.130 CG :: 26.351 CD1 :: 23.702 CD2 :: 26.670 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 :: 7.119 HA :: 4.533 HB2 :: 1.634 HB3 :: 1.250 HG :: 0.903 HD1 :: 0.723 HD2 :: 1.514 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 :: 119.828 Ave N Shift Values>> N :: 121.98(4.07) W57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.29 H 0.19 C Shift Assignments>> C :: 173.820 CA :: 56.078 CB :: 32.973 CD1 :: 126.820 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 :: 8.693 HA :: 5.001 HB2 :: 2.939 HB3 :: 2.665 HD1 :: 6.914 HE1 :: 9.777 HE3 :: 7.323 HZ2 :: 7.265 HZ3 :: 7.319 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 :: 124.047 NE1 :: 128.801 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.21 C 0.19 R 0.02 C Shift Assignments>> C :: 173.949 CA :: 53.964 CB :: 45.225 CG :: 26.553 CD1 :: 26.790 CD2 :: 25.867 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 :: 9.506 HA :: 4.857 HB2 :: 1.354 HB3 :: 1.470 HG :: 1.674 HD1 :: 0.682 HD2 :: 0.800 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 :: 122.085 Ave N Shift Values>> N :: 121.98(4.07) Y59 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 Y 0.46 HN Overlap>> K228 C Shift Assignments>> C :: 177.054 CA :: 52.659 CB :: 39.656 CE1 :: 117.343 CE2 :: 117.359 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 :: 8.630 HA :: 6.570(S) HB2 :: 2.933 HB3 :: 3.502 HD1 :: 7.323 HD2 :: 7.323 HE1 :: 6.497 HE2 :: 6.497 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.449 Ave N Shift Values>> N :: 120.79(4.69) SRO Rule Breaks>> (HE1 > HA : 1.0000) (HE2 > HA : 0.9994) T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.24 A 0.06 C Shift Assignments>> C :: 174.424 CA :: 58.093 CB :: 70.891 CG2 :: 20.623 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 :: 8.695 HA :: 5.538 HB :: 4.187 HG2 :: 1.191 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 :: 110.815 Ave N Shift Values>> N :: 115.7(5.05) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.29 M 0.17 Q 0.11 K 0.08 I 0.01 C Shift Assignments>> C :: 173.832 CA :: 55.330 CB :: 30.601 CG :: 35.566 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 :: 9.763 HA :: 5.054 HB2 :: 2.106 HB3 :: 1.874 HG2 :: 2.007 HG3 :: 2.007 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 :: 132.666 Ave N Shift Values>> N :: 120.68(3.68) L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.22 G 0.02 A 0.02 R 0.02 C Shift Assignments>> C :: 173.810 CA :: 53.230 CB :: 42.332 CG :: 27.293 CD1 :: 23.769 CD2 :: 23.838 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 :: 8.906 HA :: 4.891 HB2 :: 1.146 HB3 :: 2.006 HG :: 1.772 HD1 :: 0.832 HD2 :: 0.921 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 :: 128.214 Ave N Shift Values>> N :: 121.98(4.07) K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.34 R 0.18 M 0.02 C Shift Assignments>> C :: 176.857 CA :: 55.078 CB :: 35.991 CG :: 24.745 CD :: 29.496 CE :: 41.824 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 :: 8.374 HA :: 4.997 HB2 :: 1.571 HB3 :: 1.777 HG2 :: 1.374 HG3 :: 1.374 HD2 :: 1.608 HD3 :: 1.608 HE2 :: 2.894 HE3 :: 2.894 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 :: 122.839 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 0.83 C 0.16 C Shift Assignments>> C :: 174.229 CA :: 59.906 CB :: 68.949 CG2 :: 22.010 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 :: 9.198 HA :: 4.724 HB :: 5.302 HG2 :: 1.128 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 :: 117.601 Ave N Shift Values>> N :: 115.7(5.05) R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.15 G 0.06 C Shift Assignments>> C :: 177.779 CA :: 58.965 CB :: 30.453 CG :: 28.397 CD :: 43.206 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.969 HA :: 4.114 HB2 :: 1.886 HB3 :: 1.797 HG2 :: 1.633 HG3 :: 1.633 HD2 :: 3.158 HD3 :: 3.158 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 :: 117.703 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.540 CA :: 61.941 CB :: 71.170 CG2 :: 21.505 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 :: 8.080 HA :: 4.410 HB :: 4.067 HG2 :: 1.084 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 :: 105.502 Ave N Shift Values>> N :: 115.7(5.05) S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.02 HN Overlap>> R114 C Shift Assignments>> C :: 172.130 CA :: 57.777 CB :: 65.559 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.981 HA :: 4.720 HB2 :: 3.594 HB3 :: 3.594 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.781 Ave N Shift Values>> N :: 116.3(3.95) S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.851 CA :: 57.479 CB :: 65.393 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.503 HA :: 5.381 HB2 :: 3.737 HB3 :: 3.867 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.763 Ave N Shift Values>> N :: 116.3(3.95) I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.33 G 0.16 C Shift Assignments>> C :: 174.359 CA :: 60.036 CB :: 43.045 CG1 :: 24.774 CG2 :: 18.242 CD1 :: 14.530 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 :: 8.041 HA :: 5.005 HB :: 1.919 HG2 :: 1.024 HG12 :: 1.298 HG13 :: 1.324 HD1 :: 0.565 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 :: 109.809 Ave N Shift Values>> N :: 121.6(4.72) T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> H214 C Shift Assignments>> C :: 173.795 CA :: 61.664 CB :: 69.828 CG2 :: 21.856 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 :: 7.900 HA :: 5.050 HB :: 3.443 HG2 :: 0.965 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.670 Ave N Shift Values>> N :: 115.7(5.05) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 A 0.1 R 0.02 C Shift Assignments>> C :: 174.940 CA :: 54.038 CB :: 40.898 CG :: 27.518 CD1 :: 25.289 CD2 :: 22.484 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 :: 9.224 HA :: 4.906 HB2 :: 1.592 HB3 :: 2.337 HG :: 1.894 HD1 :: 1.076 HD2 :: 0.925 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 :: 124.890 Ave N Shift Values>> N :: 121.98(4.07) A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.15 L 0.09 C 0.07 C Shift Assignments>> C :: 175.065 CA :: 51.739 CB :: 21.190 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.661 HA :: 5.250 HB :: 1.202 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.659 Ave N Shift Values>> N :: 123.23(3.7) I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> C :: 175.115 CA :: 59.942 CB :: 41.619 CG1 :: 28.753 CG2 :: 16.856 CD1 :: 14.655 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 :: 9.318 HA :: 4.994 HB :: 1.852 HG2 :: 0.660 HG12 :: 0.803 HG13 :: 1.634 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 :: 126.165 Ave N Shift Values>> N :: 121.6(4.72) R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.14 C 0.14 M 0.12 W 0.11 Q 0.1 E 0.09 K 0.08 C Shift Assignments>> C :: 177.314 CA :: 54.780 CB :: 30.772 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 :: 8.184 HA :: 4.059 HB2 :: 1.780 HB3 :: 1.780 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 :: 125.772 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.35 I 0.01 HN Overlap>> A207 C Shift Assignments>> C :: 173.350 CA :: 58.680 CB :: 34.655 CG :: 33.749 CE :: 16.859 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 :: 7.998 HA :: 3.788 HB2 :: 1.624 HB3 :: 1.913 HG2 :: 2.265 HG3 :: 2.433 HE :: 1.816 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 :: 122.866 Ave N Shift Values>> N :: 120.1(3.88) D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 C 0.16 N 0.16 Y 0.15 F 0.15 L 0.08 I 0.01 K 0.01 E 0.01 HN Overlap>> D104 C Shift Assignments>> C :: 177.248 CA :: 55.189 CB :: 39.538 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 :: 8.070 HA :: 4.293 HB2 :: 2.491 HB3 :: 2.491 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 :: 112.366 Ave N Shift Values>> N :: 120.73(4.2) N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.21 C 0.14 Y 0.04 F 0.04 L 0.03 C Shift Assignments>> C :: 174.162 CA :: 51.666 CB :: 39.233 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 :: 8.009 HA :: 4.972 HB2 :: 2.901 HB3 :: 2.754 HD21 :: 6.194 HD22 :: 7.411 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.939 ND2 :: 107.117 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 L 0.06 C Shift Assignments>> C :: 172.987 CA :: 55.311 CB :: 38.877 CG :: 26.498 CD1 :: 27.899 CD2 :: 27.881 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 :: 8.116 HA :: 3.886 HB2 :: 1.525 HB3 :: 1.525 HG :: 1.626 HD1 :: 0.758 HD2 :: 0.758 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.813 Ave N Shift Values>> N :: 121.98(4.07) Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.15 K 0.13 L 0.11 D 0.07 I 0.05 R 0.02 C Shift Assignments>> C :: 175.236 CA :: 57.795 CB :: 40.794 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 :: 7.558 HA :: 4.762 HB2 :: 2.785 HB3 :: 2.648 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 6.321 HE2 :: 6.321 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 :: 114.553 Ave N Shift Values>> N :: 120.79(4.69) L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.29 R 0.22 G 0.1 C Shift Assignments>> C :: 175.136 CA :: 55.320 CB :: 43.413 CG :: 27.371 CD1 :: 26.454 CD2 :: 26.557 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 :: 7.320 HA :: 4.529 HB2 :: 2.076 HB3 :: 1.554 HG :: 1.305 HD1 :: 1.000 HD2 :: 1.000 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 :: 126.658 Ave N Shift Values>> N :: 121.98(4.07) V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.006 CA :: 64.223 CB :: 35.028 CG1 :: 23.448 CG2 :: 23.368 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 :: 9.087 HA :: 4.745 HB :: 2.266 HG1 :: 1.514 HG2 :: 1.472 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 :: 126.381 Ave N Shift Values>> N :: 121.02(4.96) G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 170.802 CA :: 46.645 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.684 HA2 :: 4.081 HA3 :: 4.842 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.616 Ave N Shift Values>> N :: 109.91(4.29) F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.27 G 0.12 C 0.12 D 0.06 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 170.677 CA :: 55.434 CB :: 43.868 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 :: 9.116 HA :: 6.185 HB2 :: 2.832 HB3 :: 2.832 HD1 :: 6.761 HD2 :: 6.761 HE1 :: 7.081 HE2 :: 7.081 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 :: 115.220 Ave N Shift Values>> N :: 120.69(4.18) R84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 R 0.28 K 0.19 G 0.14 HN Overlap>> E92 C Shift Assignments>> C :: 178.158 CA :: 52.606 CB :: 31.885 CG :: 25.377 CD :: 43.238 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 :: 8.889 HA :: 4.884 HB2 :: 0.509(S) HB3 :: 0.509(S) HG2 :: -0.293(S) HG3 :: 1.190 HD2 :: 2.243(S) HD3 :: 2.460 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 :: 123.440 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.24 S 0.01 HN Overlap>> R29 C Shift Assignments>> C :: 174.490 CA :: 60.410 CB :: 68.467 CG2 :: 23.027 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 :: 8.685 HA :: 4.782 HB :: 5.051 HG2 :: 1.724 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.037 Ave N Shift Values>> N :: 115.7(5.05) P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 65.242 CG :: 28.203 CD :: 51.034 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 :: 4.367 HB2 :: 2.428 HB3 :: 1.981 HG2 :: 2.271 HG3 :: 2.421 HD2 :: 4.352 HD3 :: 4.352 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) G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.61 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.840 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.106 HA3 :: 3.758 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 173.075 CA :: 44.940 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.129 HA2 :: 3.230 HA3 :: 4.078 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.959 Ave N Shift Values>> N :: 109.91(4.29) V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 174.922 CA :: 61.661 CB :: 32.698 CG1 :: 21.207 CG2 :: 20.170 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.858 HA :: 3.852 HB :: 1.841 HG1 :: 0.645 HG2 :: 0.046 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.783 Ave N Shift Values>> N :: 121.02(4.96) W90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 C 0.34 W 0.28 C Shift Assignments>> C :: 173.995 CA :: 56.408 CB :: 30.686 CD1 :: 128.103 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 :: 8.391 HA :: 4.660 HB2 :: 2.525 HB3 :: 2.525 HD1 :: 7.166 HE1 :: 10.393 HE3 :: 6.957 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 :: 126.277 NE1 :: 128.673 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) W91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.35 C 0.32 W 0.31 C Shift Assignments>> C :: 174.495 CA :: 55.251 CB :: 30.478 CD1 :: 127.519 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.017 HA :: 4.670 HB2 :: 2.392 HB3 :: 1.706(S) HD1 :: 6.420 HE1 :: 9.350 HE3 :: 6.970 HZ2 :: 7.018 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 :: 123.955 NE1 :: 126.878 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 M 0.2 E 0.08 HN Overlap>> R84 C Shift Assignments>> C :: 176.452 CA :: 54.640 CB :: 34.133 CG :: 36.174 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 :: 8.935 HA :: 5.015 HB2 :: 1.637 HB3 :: 1.637 HG2 :: 2.597 HG3 :: 3.191(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.358 Ave N Shift Values>> N :: 120.68(3.68) F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Y 0.34 F 0.29 C Shift Assignments>> C :: 174.523 CA :: 60.771 CB :: 40.220 CD1 :: 133.464 CD2 :: 133.454 CE1 :: 131.400 CE2 :: 131.358 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 :: 8.645 HA :: 4.779 HB2 :: 3.339 HB3 :: 3.339 HD1 :: 7.558 HD2 :: 7.558 HE1 :: 7.301 HE2 :: 7.301 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 :: 125.114 Ave N Shift Values>> N :: 120.69(4.18) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 R 0.26 L 0.25 C 0.1 F 0.03 D 0.03 Y 0.01 K 0.01 HN Overlap>> M164 C Shift Assignments>> C :: 170.602 CA :: 44.099 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.011 HA2 :: 3.343 HA3 :: 4.559 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.051 Ave N Shift Values>> N :: 109.91(4.29) K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.17 A 0.12 M 0.07 R 0.03 G 0.02 HN Overlap>> R235 C Shift Assignments>> C :: 172.612 CA :: 53.136 CB :: 36.059 CG :: 22.919 CD :: 29.670 CE :: 42.095 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 :: 7.321 HA :: 4.220 HB2 :: 1.451 HB3 :: 1.344 HG2 :: 0.907 HG3 :: 1.004 HD2 :: 1.466 HD3 :: 1.466 HE2 :: 2.901 HE3 :: 2.901 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.347 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 F 0.16 L 0.16 Y 0.13 D 0.13 C 0.13 R 0.04 N 0.02 I 0.02 C Shift Assignments>> C :: 176.483 CA :: 56.610 CB :: 41.061 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 :: 7.739 HA :: 4.065 HB2 :: 2.515 HB3 :: 2.479 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 :: 116.249 Ave N Shift Values>> N :: 120.73(4.2) G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 HN Overlap>> G41 C Shift Assignments>> CA :: 44.602 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.455 HA2 :: 4.389 HA3 :: 3.550 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.352 Ave N Shift Values>> N :: 109.91(4.29) D98 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 0.05 R 0.05 HN Overlap>> R203 C Shift Assignments>> C :: 175.311 CA :: 54.207 CB :: 41.526 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 :: 7.794 HA :: 4.584 HB2 :: 2.331 HB3 :: 1.975 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 :: 122.318 Ave N Shift Values>> N :: 120.73(4.2) T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.673 CA :: 62.079 CB :: 70.032 CG2 :: 21.063 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 :: 8.677 HA :: 4.634 HB :: 4.070 HG2 :: 1.257 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 :: 117.032 Ave N Shift Values>> N :: 115.7(5.05) H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.35 C 0.29 C Shift Assignments>> C :: 175.888 CA :: 57.313 CB :: 28.266 CD2 :: 121.005 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.193 HA :: 4.563 HB2 :: 2.907 HB3 :: 2.981 HD2 :: 7.157 HE1 :: 7.751 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 126.802 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.56 C 0.23 G 0.12 K 0.04 A 0.01 C Shift Assignments>> CA :: 55.041 CB :: 43.538 CG :: 26.300 CD2 :: 23.419 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 :: 4.522 HB2 :: 1.703 HB3 :: 2.145 HG :: 1.224 HD1 :: 1.134 HD2 :: 1.134 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) L102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.37 C 0.33 L 0.27 R 0.01 C Shift Assignments>> C :: 175.647 CA :: 53.197 CB :: 40.920 CG :: 25.904 CD1 :: 21.705 CD2 :: 26.189 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 :: 7.213 HA :: 3.709 HB2 :: 0.515 HB3 :: 1.159 HG :: 0.444(S) HD1 :: -0.252(S) HD2 :: 1.146 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 :: 115.474 Ave N Shift Values>> N :: 121.98(4.07) G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.142 CA :: 43.671 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.385 HA2 :: 3.170 HA3 :: 3.962 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.353 Ave N Shift Values>> N :: 109.91(4.29) D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 Y 0.18 F 0.17 C 0.17 N 0.11 L 0.09 I 0.02 K 0.02 E 0.01 HN Overlap>> D76 C Shift Assignments>> C :: 174.398 CA :: 55.713 CB :: 39.678 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 :: 7.969 HA :: 4.079 HB2 :: 2.936 HB3 :: 2.563 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 :: 112.367 Ave N Shift Values>> N :: 120.73(4.2) N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.35 D 0.19 E 0.03 C Shift Assignments>> C :: 171.526 CA :: 53.297 CB :: 37.389 CG :: 178.390 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 :: 8.314 HA :: 4.112 HB2 :: 2.667 HB3 :: 2.776 HD21 :: 6.726 HD22 :: 7.465 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 :: 112.736 ND2 :: 113.124 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> CA :: 61.939 CB :: 32.509 CG :: 25.709 CD :: 49.327 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 :: 4.320 HB2 :: 1.396 HB3 :: 0.951 HG2 :: -0.165(S) HG3 :: 1.060 HD2 :: 2.603 HD3 :: 2.766 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) R107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 C 0.34 K 0.2 G 0.05 C Shift Assignments>> C :: 176.260 CA :: 53.233 CB :: 32.038 CG :: 26.483 CD :: 42.781 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 :: 8.427 HA :: 4.203 HB2 :: 0.278(S) HB3 :: 1.153 HG2 :: 1.010 HG3 :: 0.833 HD2 :: 2.233(S) HD3 :: 2.402(S) 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 :: 118.406 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) W108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 H 0.36 W 0.27 C Shift Assignments>> C :: 178.351 CA :: 55.742 CB :: 31.195 CD1 :: 127.966 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 :: 8.460 HA :: 5.388 HB2 :: 3.363 HB3 :: 3.039 HD1 :: 7.328 HE1 :: 9.899 HE3 :: 7.241 HZ2 :: 6.408 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 :: 121.082 NE1 :: 128.414 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.62 C 0.33 G 0.02 C Shift Assignments>> C :: 177.403 CA :: 57.025 CB :: 42.335 CG :: 25.483 CD1 :: 23.982 CD2 :: 23.982 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 :: 9.187 HA :: 4.271 HB2 :: 1.566 HB3 :: 0.600 HG :: 0.354(S) HD1 :: 0.802 HD2 :: 0.802 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.011 Ave N Shift Values>> N :: 121.98(4.07) G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 172.558 CA :: 45.216 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.544 HA2 :: 4.523 HA3 :: 3.736 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.367 Ave N Shift Values>> N :: 109.91(4.29) F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.17 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 174.254 CA :: 54.085 CB :: 40.885 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 :: 7.160 HA :: 4.819 HB2 :: 3.331 HB3 :: 3.223 HD1 :: 7.134 HD2 :: 7.134 HE1 :: 7.134 HE2 :: 7.134 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 :: 114.557 Ave N Shift Values>> N :: 120.69(4.18) G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.655 CA :: 44.484 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.472 HA2 :: 3.814 HA3 :: 4.263 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.017 Ave N Shift Values>> N :: 109.91(4.29) G113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 175.601 CA :: 43.341 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.554 HA2 :: 2.108(S) HA3 :: 3.362 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 99.538 Ave N Shift Values>> N :: 109.91(4.29) R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.14 C 0.14 W 0.11 Q 0.11 M 0.11 E 0.1 K 0.07 HN Overlap>> S67 C Shift Assignments>> C :: 178.985 CA :: 54.782 CB :: 30.585 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 :: 8.013 HA :: 4.331 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 :: 117.830 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.59 Y 0.34 F 0.05 C Shift Assignments>> CA :: 65.025 CB :: 36.184 CD1 :: 133.445 CD2 :: 133.445 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>> HA :: 4.144 HB2 :: 3.073 HB3 :: 2.830 HD1 :: 7.134 HD2 :: 7.134 HE1 :: 6.768 HE2 :: 6.768 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) Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.4 E 0.15 C Shift Assignments>> CA :: 58.754 CB :: 28.136 CG :: 33.740 CD :: 180.195 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>> HA :: 4.368 HB2 :: 2.026 HB3 :: 1.895 HG2 :: 2.327 HG3 :: 2.327 HE21 :: 6.832 HE22 :: 7.540 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>> NE2 :: 111.403 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 L 0.23 K 0.15 C 0.11 F 0.08 D 0.07 Y 0.06 G 0.01 C Shift Assignments>> C :: 176.696 CA :: 56.668 CB :: 42.799 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 :: 6.996 HA :: 4.423 HB2 :: 2.888 HB3 :: 2.705 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 :: 116.564 Ave N Shift Values>> N :: 120.73(4.2) L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.28 G 0.27 C Shift Assignments>> C :: 177.692 CA :: 56.930 CB :: 44.154 CG :: 25.216 CD1 :: 23.526 CD2 :: 23.578 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 :: 4.148 HB2 :: 1.803 HB3 :: 1.508 HG :: 0.721 HD1 :: 1.202 HD2 :: 1.202 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.543 Ave N Shift Values>> N :: 121.98(4.07) I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 176.669 CA :: 60.152 CB :: 40.531 CG1 :: 25.638 CG2 :: 18.955 CD1 :: 13.853 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 :: 8.896 HA :: 4.583 HB :: 2.092 HG2 :: 0.816 HG12 :: 1.078 HG13 :: 1.308 HD1 :: 0.453 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 :: 109.499 Ave N Shift Values>> N :: 121.6(4.72) G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 173.938 CA :: 47.184 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.351 HA2 :: 4.009 HA3 :: 3.879 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.477 Ave N Shift Values>> N :: 109.91(4.29) N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.21 C 0.2 C Shift Assignments>> CA :: 52.405 CB :: 38.093 CG :: 177.548 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.753 HB2 :: 2.831 HB3 :: 2.831 HD21 :: 6.824 HD22 :: 7.515 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>> ND2 :: 111.406 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 175.462 CA :: 56.469 CB :: 33.641 CG :: 25.479 CD :: 29.070 CE :: 42.315 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 :: 7.438 HA :: 4.145 HB2 :: 1.785 HB3 :: 1.785 HG2 :: 1.764 HG3 :: 1.764 HD2 :: 1.512 HD3 :: 1.512 HE2 :: 3.052 HE3 :: 3.052 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 :: 120.102 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.28 R 0.26 L 0.25 C 0.1 F 0.03 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 176.025 CA :: 44.104 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.337 HA2 :: 4.103 HA3 :: 4.103 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.551 Ave N Shift Values>> N :: 109.91(4.29) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.36 R 0.13 G 0.01 C Shift Assignments>> C :: 178.681 CA :: 57.099 CB :: 42.327 CG :: 28.206 CD1 :: 24.507 CD2 :: 23.415 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 :: 9.162 HA :: 3.711 HB2 :: 1.315 HB3 :: 1.315 HG :: 1.250 HD1 :: 0.381 HD2 :: 0.274 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 :: 122.394 Ave N Shift Values>> N :: 121.98(4.07) E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 Q 0.16 K 0.13 E 0.11 I 0.09 R 0.04 C Shift Assignments>> C :: 174.865 CA :: 58.624 CB :: 26.803 CG :: 34.809 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 :: 10.280 HA :: 4.321 HB2 :: 2.134 HB3 :: 1.637 HG2 :: 2.339 HG3 :: 1.910 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.392 Ave N Shift Values>> N :: 120.68(3.68) T126 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 :: 174.770 CA :: 62.417 CB :: 70.160 CG2 :: 21.800 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 :: 7.378 HA :: 4.255 HB :: 4.411 HG2 :: 1.275 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.032 Ave N Shift Values>> N :: 115.7(5.05) V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 174.885 CA :: 62.349 CB :: 32.120 CG1 :: 21.592 CG2 :: 21.571 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 :: 7.330 HA :: 3.950 HB :: 2.241 HG1 :: 0.906 HG2 :: 0.906 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.378 Ave N Shift Values>> N :: 121.02(4.96) T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.074 CA :: 63.294 CB :: 69.041 CG2 :: 22.861 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 :: 8.480 HA :: 4.300 HB :: 3.934 HG2 :: 1.173 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 :: 122.793 Ave N Shift Values>> N :: 115.7(5.05) M129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 A 0.27 M 0.15 I 0.03 C Shift Assignments>> C :: 173.514 CA :: 54.877 CB :: 38.112 CG :: 32.200 CE :: 16.794 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 :: 8.945 HA :: 4.513 HB2 :: 2.102 HB3 :: 2.102 HG2 :: 2.768 HG3 :: 2.768 HE :: 1.920 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 :: 121.876 Ave N Shift Values>> N :: 120.1(3.88) G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.2 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.990 CA :: 43.913 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.913 HA2 :: 3.370 HA3 :: 5.050 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.352 Ave N Shift Values>> N :: 109.91(4.29) R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 V 0.15 W 0.15 I 0.12 E 0.08 R 0.08 P 0.07 H 0.05 Q 0.03 K 0.03 M 0.02 HN Overlap>> E50 C Shift Assignments>> C :: 178.968 CA :: 60.816 CB :: 30.695 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 :: 8.380 HA :: 2.864 HB2 :: 1.130 HB3 :: 1.385 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 :: 122.710 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.25 I 0.05 C 0.02 C Shift Assignments>> C :: 180.746 CA :: 55.423 CB :: 17.303 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.417 HA :: 4.006 HB :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.817 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 0.28 E 0.25 Q 0.17 K 0.17 M 0.05 I 0.04 R 0.01 C Shift Assignments>> C :: 179.506 CA :: 58.140 CB :: 29.521 CG :: 34.945 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 :: 7.739 HA :: 3.950 HB2 :: 1.725 HB3 :: 1.937 HG2 :: 1.962 HG3 :: 2.107 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.363 Ave N Shift Values>> N :: 120.68(3.68) M134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.37 I 0.02 C Shift Assignments>> C :: 176.289 CA :: 60.159 CB :: 33.821 CG :: 33.042 CE :: 18.203 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 :: 8.643 HA :: 3.666 HB2 :: 2.118 HB3 :: 2.118 HG2 :: 2.445 HG3 :: 2.445 HE :: 2.224 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 :: 119.977 Ave N Shift Values>> N :: 120.1(3.88) T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.314 CA :: 67.105 CB :: 68.822 CG2 :: 20.854 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 :: 8.352 HA :: 3.416 HB :: 4.209 HG2 :: 1.014 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.949 Ave N Shift Values>> N :: 115.7(5.05) R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.09 G 0.08 HN Overlap>> Q185 K200 C Shift Assignments>> C :: 177.852 CA :: 59.081 CB :: 30.473 CG :: 27.847 CD :: 43.445 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 :: 7.688 HA :: 3.906 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.599 HG3 :: 1.599 HD2 :: 3.097 HD3 :: 3.097 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 :: 118.691 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.26 I 0.06 C 0.03 C Shift Assignments>> C :: 178.311 CA :: 55.670 CB :: 17.867 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.822 HA :: 3.827 HB :: 1.400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.030 Ave N Shift Values>> N :: 123.23(3.7) V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> D179 T245 C Shift Assignments>> C :: 176.360 CA :: 67.192 CB :: 31.359 CG1 :: 24.623 CG2 :: 21.403 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 :: 8.042 HA :: 3.185 HB :: 1.921 HG1 :: 0.945 HG2 :: 0.879 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 :: 116.602 Ave N Shift Values>> N :: 121.02(4.96) N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 N 0.31 D 0.03 C Shift Assignments>> C :: 178.367 CA :: 55.162 CB :: 37.083 CG :: 174.887 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 :: 7.951 HA :: 4.299 HB2 :: 2.668 HB3 :: 2.668 HD21 :: 7.419 HD22 :: 7.107 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.508 ND2 :: 109.775 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 D 0.12 L 0.12 K 0.1 I 0.04 N 0.02 R 0.01 HN Overlap>> Q44 C Shift Assignments>> C :: 179.883 CA :: 56.985 CB :: 40.478 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 :: 8.187 HA :: 4.478 HB2 :: 2.521 HB3 :: 2.655 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 :: 118.984 Ave N Shift Values>> N :: 120.73(4.2) L141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 L 0.32 A 0.02 C Shift Assignments>> C :: 178.435 CA :: 57.642 CB :: 40.491 CG :: 25.911 CD1 :: 22.075 CD2 :: 22.175 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.258 HA :: 3.942 HB2 :: 1.596 HB3 :: 0.771 HG :: 0.128(S) HD1 :: 0.619 HD2 :: 0.619 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 :: 122.328 Ave N Shift Values>> N :: 121.98(4.07) A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.43 C 0.04 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 178.378 CA :: 54.709 CB :: 19.306 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.203 HA :: 3.932 HB :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.897 Ave N Shift Values>> N :: 123.23(3.7) K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.18 C 0.18 Q 0.16 R 0.06 H 0.06 W 0.06 E 0.03 V 0.01 C Shift Assignments>> C :: 176.403 CA :: 55.781 CB :: 33.138 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 :: 7.065 HA :: 4.298 HB2 :: 2.034 HB3 :: 1.872 HG2 :: 1.695 HG3 :: 1.695 HE2 :: 3.019 HE3 :: 3.019 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 :: 113.930 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.16 M 0.13 Q 0.1 W 0.09 R 0.08 V 0.08 E 0.06 H 0.06 C Shift Assignments>> C :: 176.797 CA :: 58.391 CB :: 32.751 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 :: 7.557 HA :: 4.111 HB2 :: 1.920 HB3 :: 1.920 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 :: 122.330 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.65 I 0.27 A 0.04 M 0.02 C Shift Assignments>> CA :: 57.573 CB :: 29.614 CG :: 36.233 CE :: 17.233 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>> HA :: 3.732 HB2 :: 2.023 HB3 :: 2.112 HG2 :: 2.337 HG3 :: 2.337 HE :: 2.182 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) L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.66 C 0.29 K 0.03 C Shift Assignments>> CA :: 54.923 CB :: 41.372 CD1 :: 24.700 CD2 :: 24.690 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 :: 4.553 HB2 :: 1.704 HB3 :: 1.704 HG :: 1.656 HD1 :: 0.995 HD2 :: 0.969 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) E149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> CA :: 64.192 CB :: 31.837 CG :: 27.615 CD :: 50.549 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 :: 4.414 HB2 :: 2.394 HB3 :: 1.989 HG2 :: 2.143 HG3 :: 2.143 HD2 :: 3.799 HD3 :: 3.799 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) Q151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.38 E 0.22 C Shift Assignments>> CA :: 57.111 CB :: 28.890 CG :: 34.066 CD :: 180.209 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>> HA :: 4.307 HB2 :: 2.072 HB3 :: 2.072 HG2 :: 2.581 HG3 :: 2.581 HE21 :: 6.878 HE22 :: 7.683 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>> NE2 :: 111.050 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> CA :: 52.191 CB :: 19.360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.714 HA :: 4.287 HB :: 1.334 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.894 Ave N Shift Values>> N :: 123.23(3.7) D153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.18 E 0.16 N 0.11 F 0.11 D 0.04 M 0.04 I 0.03 K 0.01 L 0.01 HN Overlap>> V28 Q194 C Shift Assignments>> CA :: 55.932 CB :: 37.491 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 :: 7.785 HA :: 4.292 HB2 :: 2.861 HB3 :: 2.581 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 :: 120.037 Ave N Shift Values>> N :: 120.73(4.2) T154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 66.438 CB :: 68.639 CG2 :: 22.500 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> HA :: 3.768 HB :: 4.176 HG2 :: 1.308 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) K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.2 V 0.16 P 0.11 R 0.05 I 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.777 CA :: 61.341 CB :: 32.959 CG :: 24.963 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 :: 8.397 HA :: 3.740 HB2 :: 2.113 HB3 :: 1.747 HG2 :: 1.563 HG3 :: 1.563 HE2 :: 3.000 HE3 :: 3.000 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 :: 120.012 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.232 CA :: 60.943 CB :: 62.907 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.612 HA :: 4.175 HB2 :: 4.029 HB3 :: 4.029 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 :: 112.099 Ave N Shift Values>> N :: 116.3(3.95) K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.24 M 0.01 HN Overlap>> C36 T177 C Shift Assignments>> C :: 178.185 CA :: 58.134 CB :: 31.675 CG :: 25.450 CD :: 29.090 CE :: 42.055 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 :: 7.507 HA :: 3.984 HB2 :: 1.717 HB3 :: 1.658 HG2 :: 1.479 HG3 :: 1.479 HD2 :: 1.577 HD3 :: 1.577 HE2 :: 2.963 HE3 :: 2.963 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 :: 117.860 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 G 0.05 R 0.01 C Shift Assignments>> C :: 179.727 CA :: 58.185 CB :: 42.842 CG :: 27.101 CD1 :: 23.084 CD2 :: 23.072 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 :: 8.202 HA :: 3.957 HB2 :: 2.209 HB3 :: 1.469 HG :: 1.149 HD1 :: 0.686 HD2 :: 0.686 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.044 Ave N Shift Values>> N :: 121.98(4.07) V159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 175.821 CA :: 65.812 CB :: 31.233 CG1 :: 20.424 CG2 :: 23.353 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 :: 8.648 HA :: 4.017 HB :: 2.230 HG1 :: 1.239 HG2 :: 1.298 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.382 Ave N Shift Values>> N :: 121.02(4.96) K160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.29 V 0.11 R 0.06 P 0.03 Q 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 178.257 CA :: 60.330 CB :: 33.003 CG :: 24.877 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 :: 7.022 HA :: 3.791 HB2 :: 1.543 HB3 :: 1.954 HG2 :: 1.439 HG3 :: 1.439 HE2 :: 2.989 HE3 :: 2.989 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 :: 119.495 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.37 R 0.08 C Shift Assignments>> C :: 178.319 CA :: 57.568 CB :: 41.122 CG :: 25.909 CD1 :: 23.610 CD2 :: 27.144 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 :: 7.183 HA :: 4.073 HB2 :: 2.158 HB3 :: 1.270 HG :: 1.992 HD1 :: 0.818 HD2 :: 0.693 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.159 Ave N Shift Values>> N :: 121.98(4.07) V162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 178.321 CA :: 68.231 CB :: 32.249 CG1 :: 23.607 CG2 :: 21.041 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 :: 8.686 HA :: 3.613 HB :: 2.361 HG1 :: 1.101 HG2 :: 1.110 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 :: 121.102 Ave N Shift Values>> N :: 121.02(4.96) V163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.13 P 0.08 HN Overlap>> H35 S205 C Shift Assignments>> C :: 177.457 CA :: 66.601 CB :: 31.739 CG1 :: 24.169 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 :: 8.251 HA :: 3.806 HB :: 2.266 HG1 :: 0.833 HG2 :: 1.044 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 :: 116.460 Ave N Shift Values>> N :: 121.02(4.96) M164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 M 0.01 HN Overlap>> G94 C Shift Assignments>> C :: 177.340 CA :: 61.056 CB :: 36.179 CG :: 36.105 CE :: 17.808 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 :: 8.077 HA :: 3.924 HB2 :: 3.166 HB3 :: 2.666 HG2 :: 2.423 HG3 :: 2.423 HE :: 2.112 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 :: 112.033 Ave N Shift Values>> N :: 120.1(3.88) V165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 174.593 CA :: 65.765 CB :: 31.599 CG1 :: 21.057 CG2 :: 21.179 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 :: 8.784 HA :: 4.283 HB :: 2.382 HG1 :: 1.089 HG2 :: 1.037 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 :: 114.443 Ave N Shift Values>> N :: 121.02(4.96) C166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 I 0.38 C 0.04 W 0.01 C Shift Assignments>> C :: 177.061 CA :: 64.220 CB :: 26.891 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.388 HA :: 3.968 HB2 :: 3.425 HB3 :: 3.385 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 :: 117.277 Ave N Shift Values>> N :: 119.95(4.79) E167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.26 Q 0.18 R 0.12 E 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 180.707 CA :: 57.245 CB :: 26.234 CG :: 33.590 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 :: 8.276 HA :: 5.332 HB2 :: 2.687 HB3 :: 2.169 HG2 :: 2.513 HG3 :: 2.361 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 :: 114.246 Ave N Shift Values>> N :: 120.68(3.68) G168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.04 C Shift Assignments>> C :: 174.037 CA :: 46.995 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.157 HA2 :: 3.781 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 :: 105.444 Ave N Shift Values>> N :: 109.91(4.29) L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.29 K 0.12 G 0.05 R 0.02 HN Overlap>> A180 C Shift Assignments>> C :: 179.189 CA :: 57.944 CB :: 42.914 CG :: 25.910 CD1 :: 24.601 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 :: 7.731 HA :: 3.875 HB2 :: 2.221 HB3 :: 1.023 HG :: 0.694 HD1 :: 0.624 HD2 :: 0.624 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.353 Ave N Shift Values>> N :: 121.98(4.07) R170 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.58 G 0.34 R 0.05 K 0.01 C Shift Assignments>> C :: 177.205 CA :: 59.445 CB :: 34.997 CG :: 27.236 CD :: 44.358 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 :: 7.336 HA :: 3.773 HB2 :: 1.789 HB3 :: 1.054 HG2 :: 0.445(S) HG3 :: 1.528 HD2 :: 2.749 HD3 :: 0.898(M) 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 :: 113.992 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) (HD3 > HG3 : 0.9982) F171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 Y 0.25 F 0.05 G 0.03 C Shift Assignments>> C :: 175.903 CA :: 58.572 CB :: 42.155 CD1 :: 128.372 CD2 :: 128.372 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 :: 8.811 HA :: 5.021 HB2 :: 3.369 HB3 :: 3.239 HD1 :: 7.157 HD2 :: 7.157 HE1 :: 7.157 HE2 :: 7.157 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 :: 113.667 Ave N Shift Values>> N :: 120.69(4.18) N172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 N 0.41 D 0.14 C Shift Assignments>> C :: 177.790 CA :: 55.196 CB :: 38.604 CG :: 175.273 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 :: 8.271 HA :: 5.088 HB2 :: 2.780 HB3 :: 2.780 HD21 :: 7.092 HD22 :: 6.684 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 :: 122.558 ND2 :: 112.148 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.4 C Shift Assignments>> C :: 176.731 CA :: 64.007 CB :: 68.115 CG2 :: 24.661 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 :: 7.972 HA :: 4.306 HB :: 4.215 HG2 :: 1.537 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 :: 108.540 Ave N Shift Values>> N :: 115.7(5.05) V174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 176.687 CA :: 66.252 CB :: 31.885 CG1 :: 23.412 CG2 :: 20.995 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.609 HA :: 3.478 HB :: 2.199 HG1 :: 0.703 HG2 :: 0.846 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 :: 119.008 Ave N Shift Values>> N :: 121.02(4.96) S175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.723 CA :: 62.181 CB :: 61.592 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.460 HA :: 4.550 HB2 :: 4.037 HB3 :: 4.037 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 :: 114.692 Ave N Shift Values>> N :: 116.3(3.95) R176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.1 K 0.07 C Shift Assignments>> C :: 179.280 CA :: 59.921 CB :: 30.400 CG :: 27.674 CD :: 43.474 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 :: 8.362 HA :: 4.272 HB2 :: 1.945 HB3 :: 2.069 HG2 :: 1.744 HG3 :: 1.744 HD2 :: 3.231 HD3 :: 3.231 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 :: 121.291 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> K157 C Shift Assignments>> CA :: 67.295 CB :: 69.368 CG2 :: 21.531 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 :: 7.554 HA :: 3.991 HB :: 4.154 HG2 :: 1.220 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 :: 117.870 Ave N Shift Values>> N :: 115.7(5.05) V178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> K7 C Shift Assignments>> C :: 177.434 CA :: 66.647 CB :: 31.160 CG1 :: 21.788 CG2 :: 25.030 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 :: 8.806 HA :: 3.402 HB :: 1.961 HG1 :: 0.135 HG2 :: 0.901 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.979 Ave N Shift Values>> N :: 121.02(4.96) D179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 C 0.17 G 0.14 L 0.14 F 0.08 Y 0.05 K 0.04 I 0.01 D 0.01 HN Overlap>> V138 T245 C Shift Assignments>> C :: 178.741 CA :: 58.826 CB :: 43.791 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 :: 8.038 HA :: 4.374 HB2 :: 3.141 HB3 :: 2.821 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 :: 116.641 Ave N Shift Values>> N :: 120.73(4.2) A180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 HN Overlap>> L169 C Shift Assignments>> C :: 179.619 CA :: 55.051 CB :: 18.005 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.775 HA :: 4.289 HB :: 1.617 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.351 Ave N Shift Values>> N :: 123.23(3.7) G181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 176.029 CA :: 45.029 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.419 HA2 :: 3.517 HA3 :: 4.750 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.632 Ave N Shift Values>> N :: 109.91(4.29) F182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 F 0.15 C 0.13 Y 0.1 HN Overlap>> V14 C Shift Assignments>> C :: 177.226 CA :: 63.555 CB :: 40.103 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 :: 7.878 HA :: 4.076 HB2 :: 3.175 HB3 :: 3.970 HD1 :: 7.307 HD2 :: 7.307 HE1 :: 7.307 HE2 :: 7.307 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 :: 124.181 Ave N Shift Values>> N :: 120.69(4.18) N183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.21 C 0.17 C Shift Assignments>> CA :: 52.497 CB :: 38.489 CG :: 176.899 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 :: 7.738 HA :: 4.953 HB2 :: 3.176 HB3 :: 2.792 HD21 :: 7.633 HD22 :: 7.485 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 :: 112.088 ND2 :: 113.827 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.275 CA :: 58.538 CB :: 63.833 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.566 HA :: 4.371 HB2 :: 3.981 HB3 :: 4.042 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 :: 115.841 Ave N Shift Values>> N :: 116.3(3.95) Q185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.43 E 0.11 HN Overlap>> R136 K200 C Shift Assignments>> C :: 178.227 CA :: 58.379 CB :: 28.266 CG :: 33.277 CD :: 179.955 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 :: 7.604 HA :: 4.050 HB2 :: 1.942 HB3 :: 1.831 HG2 :: 2.147 HG3 :: 2.074 HE21 :: 6.796 HE22 :: 7.415 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 :: 118.752 NE2 :: 111.279 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.34 W 0.33 C 0.31 C Shift Assignments>> CA :: 55.619 CB :: 30.797 CE1 :: 138.640 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.704 HB2 :: 3.281 HB3 :: 3.040 HD2 :: 7.201 HE1 :: 7.749 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) G187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.14 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 172.092 CA :: 44.936 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.422 HA2 :: 4.125 HA3 :: 4.125 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.572 Ave N Shift Values>> N :: 109.91(4.29) V188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 173.137 CA :: 59.741 CB :: 35.205 CG1 :: 20.843 CG2 :: 20.448 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 :: 8.387 HA :: 4.730 HB :: 2.061 HG1 :: 0.946 HG2 :: 0.827 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 :: 116.165 Ave N Shift Values>> N :: 121.02(4.96) T189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.41 A 0.01 C Shift Assignments>> C :: 174.374 CA :: 58.921 CB :: 72.541 CG2 :: 21.673 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 :: 7.795 HA :: 4.717 HB :: 4.497 HG2 :: 0.976 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 :: 113.695 Ave N Shift Values>> N :: 115.7(5.05) L190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 C 0.29 L 0.29 G 0.04 C Shift Assignments>> C :: 177.735 CA :: 53.780 CB :: 42.500 CG :: 26.138 CD1 :: 21.597 CD2 :: 21.597 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 :: 9.453 HA :: 4.493 HB2 :: 1.553 HB3 :: 1.185 HG :: 0.566 HD1 :: 0.653 HD2 :: 0.653 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 :: 119.192 Ave N Shift Values>> N :: 121.98(4.07) T191 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 :: 175.956 CA :: 60.429 CB :: 71.259 CG2 :: 21.678 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 :: 8.566 HA :: 4.498 HB :: 4.729 HG2 :: 1.260 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 :: 109.245 Ave N Shift Values>> N :: 115.7(5.05) V192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.452 CA :: 66.403 CB :: 31.677 CG1 :: 20.673 CG2 :: 22.194 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 :: 8.654 HA :: 3.547 HB :: 2.021 HG1 :: 0.920 HG2 :: 1.001 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 :: 119.857 Ave N Shift Values>> N :: 121.02(4.96) T193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> T244 C Shift Assignments>> C :: 174.671 CA :: 66.674 CB :: 68.608 CG2 :: 21.840 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 :: 8.099 HA :: 3.796 HB :: 3.961 HG2 :: 1.173 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 :: 115.648 Ave N Shift Values>> N :: 115.7(5.05) Q194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Q 0.29 E 0.19 HN Overlap>> D153 C Shift Assignments>> C :: 179.606 CA :: 58.654 CB :: 30.323 CG :: 34.750 CD :: 178.526 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 :: 7.790 HA :: 3.863 HB2 :: 1.497 HB3 :: 2.403 HG2 :: 2.470 HG3 :: 2.246 HE21 :: 6.709 HE22 :: 7.296 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.924 NE2 :: 109.839 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.27 P 0.15 A 0.07 N 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 174.460 CA :: 47.927 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.670 HA2 :: 3.394 HA3 :: 3.798 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.577 Ave N Shift Values>> N :: 109.91(4.29) K196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.14 M 0.02 C Shift Assignments>> C :: 179.395 CA :: 59.371 CB :: 32.529 CG :: 25.220 CD :: 29.480 CE :: 41.660 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 :: 7.640 HA :: 4.024 HB2 :: 1.937 HB3 :: 1.763 HG2 :: 1.591 HG3 :: 1.591 HD2 :: 1.692 HD3 :: 1.692 HE2 :: 2.980 HE3 :: 2.980 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 :: 119.606 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 Q 0.26 E 0.04 C Shift Assignments>> C :: 177.684 CA :: 59.131 CB :: 27.760 CG :: 34.000 CD :: 177.761 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 :: 7.439 HA :: 3.883 HB2 :: 1.650 HB3 :: 2.396 HG2 :: 2.980 HG3 :: 2.355 HE21 :: 6.628 HE22 :: 7.498 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 :: 115.365 NE2 :: 107.567 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 179.704 CA :: 64.259 CB :: 30.744 CG1 :: 22.704 CG2 :: 21.438 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 :: 7.750 HA :: 3.371 HB :: 1.820 HG1 :: 0.079 HG2 :: 0.653 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 :: 117.762 Ave N Shift Values>> N :: 121.02(4.96) Q199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.41 Q 0.08 C Shift Assignments>> C :: 176.300 CA :: 58.918 CB :: 29.296 CG :: 36.292 CD :: 179.818 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 :: 7.562 HA :: 4.310 HB2 :: 2.413 HB3 :: 2.123 HG2 :: 2.557 HG3 :: 2.129 HE21 :: 7.087 HE22 :: 6.565 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 :: 115.352 NE2 :: 110.637 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 K 0.06 HN Overlap>> R136 Q185 C Shift Assignments>> C :: 176.165 CA :: 54.107 CB :: 32.085 CG :: 24.817 CD :: 24.811 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 :: 7.702 HA :: 5.092 HB2 :: 2.206 HB3 :: 2.008 HG2 :: 1.662 HG3 :: 1.662 HD2 :: 1.569 HD3 :: 1.569 HE2 :: 3.018 HE3 :: 3.018 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 :: 118.714 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) W201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.46 H 0.02 C Shift Assignments>> C :: 178.407 CA :: 63.812 CB :: 28.537 CD1 :: 125.463 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 :: 7.833 HA :: 4.376 HB2 :: 4.044 HB3 :: 3.748 HD1 :: 6.535 HE1 :: 10.030 HE3 :: 7.692 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 :: 121.530 NE1 :: 128.199 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) D202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.26 F 0.26 C 0.19 I 0.08 D 0.07 L 0.05 K 0.02 N 0.02 E 0.01 C Shift Assignments>> CA :: 57.686 CB :: 39.606 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 3.652 HB2 :: 2.726 HB3 :: 2.726 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) R203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.33 L 0.09 K 0.09 G 0.07 HN Overlap>> D98 C Shift Assignments>> C :: 179.658 CA :: 57.208 CB :: 28.926 CG :: 27.220 CD :: 43.418 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 :: 7.894 HA :: 4.266 HB2 :: 1.982 HB3 :: 1.982 HG2 :: 1.802 HG3 :: 1.802 HD2 :: 3.208 HD3 :: 3.208 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 :: 122.359 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.19 C Shift Assignments>> C :: 177.543 CA :: 64.932 CB :: 38.824 CG1 :: 27.733 CG2 :: 17.666 CD1 :: 17.588 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 :: 9.090 HA :: 3.912 HB :: 1.811 HG2 :: 1.070 HG12 :: 1.595 HG13 :: 1.595 HD1 :: 0.916 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.098 Ave N Shift Values>> N :: 121.6(4.72) S205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.03 HN Overlap>> H35 V163 C Shift Assignments>> C :: 174.543 CA :: 63.582 CB :: 62.436 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.278 HA :: 3.980 HB2 :: 3.864 HB3 :: 3.864 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 :: 116.484 Ave N Shift Values>> N :: 116.3(3.95) K206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.16 M 0.01 G 0.01 C Shift Assignments>> C :: 179.047 CA :: 59.992 CB :: 32.461 CG :: 24.806 CD :: 29.290 CE :: 42.204 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 :: 7.668 HA :: 3.953 HB2 :: 1.830 HB3 :: 1.830 HG2 :: 1.339 HG3 :: 1.445 HD2 :: 1.716 HD3 :: 1.716 HE2 :: 2.877 HE3 :: 2.877 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 :: 120.807 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.44 I 0.02 C 0.02 HN Overlap>> M75 C Shift Assignments>> C :: 178.133 CA :: 54.493 CB :: 17.749 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.004 HA :: 4.068 HB :: 1.081 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.969 Ave N Shift Values>> N :: 123.23(3.7) A208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.18 I 0.07 C 0.02 C Shift Assignments>> C :: 180.604 CA :: 55.679 CB :: 16.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.230 HA :: 4.282 HB :: 1.567 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.466 Ave N Shift Values>> N :: 123.23(3.7) F209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.33 C 0.2 C Shift Assignments>> C :: 178.770 CA :: 62.213 CB :: 38.926 CD1 :: 131.384 CD2 :: 131.384 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 :: 7.552 HA :: 3.947 HB2 :: 2.988 HB3 :: 3.180 HD1 :: 7.370 HD2 :: 7.370 HE1 :: 7.120 HE2 :: 7.120 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 :: 117.100 Ave N Shift Values>> N :: 120.69(4.18) E210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.33 E 0.27 K 0.03 M 0.01 HN Overlap>> A247 C Shift Assignments>> C :: 179.862 CA :: 60.250 CB :: 29.576 CG :: 36.919 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 :: 8.158 HA :: 4.177 HB2 :: 2.062 HB3 :: 1.848 HG2 :: 2.069 HG3 :: 2.308 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 :: 124.211 Ave N Shift Values>> N :: 120.68(3.68) W211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.45 C 0.34 H 0.2 C Shift Assignments>> C :: 177.790 CA :: 58.470 CB :: 29.252 CD1 :: 125.981 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 :: 8.915 HA :: 4.838 HB2 :: 3.087 HB3 :: 3.390 HD1 :: 7.985 HE1 :: 10.572 HZ2 :: 7.509 HZ3 :: 7.149 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 :: 118.014 NE1 :: 130.495 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) A212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 178.349 CA :: 54.811 CB :: 17.882 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.453 HA :: 4.147 HB :: 1.508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.064 Ave N Shift Values>> N :: 123.23(3.7) D213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.18 K 0.18 R 0.1 C 0.1 F 0.07 Y 0.06 N 0.03 C Shift Assignments>> C :: 176.182 CA :: 55.002 CB :: 41.951 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 :: 7.163 HA :: 4.676 HB2 :: 2.514 HB3 :: 2.399 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.425 Ave N Shift Values>> N :: 120.73(4.2) H214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 C 0.18 R 0.13 Q 0.11 W 0.1 M 0.09 K 0.07 E 0.06 HN Overlap>> T70 C Shift Assignments>> C :: 173.409 CA :: 53.060 CB :: 30.163 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 :: 7.913 HA :: 5.237 HB2 :: 3.218 HB3 :: 3.218 HD2 :: 7.264 HE1 :: 8.218 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 :: 116.705 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P215 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>> CA :: 65.442 CB :: 32.540 CG :: 27.215 CD :: 50.514 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 :: 4.885 HB2 :: 2.414 HB3 :: 2.056 HG2 :: 2.076 HG3 :: 2.076 HD2 :: 3.881 HD3 :: 3.385 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) T216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.847 CA :: 60.338 CB :: 68.742 CG2 :: 21.787 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 :: 7.856 HA :: 4.540 HB :: 4.648 HG2 :: 1.193 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.575 Ave N Shift Values>> N :: 115.7(5.05) A217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.31 C 0.02 C Shift Assignments>> C :: 178.147 CA :: 53.460 CB :: 18.612 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.831 HA :: 4.143 HB :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.247 Ave N Shift Values>> N :: 123.23(3.7) V218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 176.092 CA :: 62.666 CB :: 31.841 CG1 :: 20.980 CG2 :: 21.058 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 :: 8.693 HA :: 4.251 HB :: 2.038 HG1 :: 0.908 HG2 :: 1.101 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 :: 125.276 Ave N Shift Values>> N :: 121.02(4.96) I219 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.51 C 0.46 A 0.01 C Shift Assignments>> C :: 175.266 CA :: 58.697 CB :: 38.900 CG1 :: 26.286 CG2 :: 17.858 CD1 :: 11.729 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 :: 8.699 HA :: 4.508 HB :: 1.431 HG2 :: 0.701 HG12 :: 1.095 HG13 :: 0.621 HD1 :: -0.516(S) 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 :: 128.629 Ave N Shift Values>> N :: 121.6(4.72) P220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> CA :: 66.117 CB :: 31.204 CG :: 28.638 CD :: 51.363 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 :: 4.362 HB2 :: 2.018 HB3 :: 2.424 HG2 :: 2.199 HG3 :: 1.959 HD2 :: 3.981 HD3 :: 3.981 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) D221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.23 Y 0.22 C 0.17 D 0.11 L 0.09 I 0.05 K 0.05 N 0.03 C Shift Assignments>> CA :: 57.096 CB :: 40.047 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.334 HB2 :: 2.302 HB3 :: 2.451 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) M222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.35 A 0.11 V 0.07 K 0.02 C Shift Assignments>> C :: 178.925 CA :: 55.552 CB :: 33.230 CE :: 21.226 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 :: 7.544 HA :: 4.720 HB2 :: 2.522 HB3 :: 2.522 HE :: 1.766 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 :: 114.988 Ave N Shift Values>> N :: 120.1(3.88) Q223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Q 0.38 E 0.13 C Shift Assignments>> C :: 180.759 CA :: 59.788 CB :: 28.275 CG :: 34.171 CD :: 179.244 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 :: 8.002 HA :: 3.871 HB2 :: 2.323 HB3 :: 2.169 HG2 :: 2.477 HG3 :: 2.376 HE21 :: 7.543 HE22 :: 6.809 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 :: 122.544 NE2 :: 111.574 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 M 0.02 G 0.01 C Shift Assignments>> C :: 177.280 CA :: 58.787 CB :: 32.566 CG :: 25.288 CD :: 29.530 CE :: 42.238 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 :: 8.070 HA :: 4.126 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 1.581 HG3 :: 1.581 HD2 :: 1.687 HD3 :: 1.687 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 :: 118.145 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.25 C 0.19 A 0.04 C Shift Assignments>> C :: 176.258 CA :: 53.886 CB :: 44.047 CG :: 25.998 CD1 :: 23.256 CD2 :: 23.223 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 :: 7.178 HA :: 4.435 HB2 :: 1.997 HB3 :: 1.791 HG :: 0.966 HD1 :: 0.852 HD2 :: 0.852 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.159 Ave N Shift Values>> N :: 121.98(4.07) G226 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 :: 174.002 CA :: 45.804 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.891 HA2 :: 3.780 HA3 :: 4.087 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.162 Ave N Shift Values>> N :: 109.91(4.29) I227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 174.715 CA :: 60.619 CB :: 37.852 CG1 :: 28.541 CG2 :: 17.911 CD1 :: 14.137 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 :: 7.834 HA :: 4.112 HB :: 1.987 HG2 :: 0.979 HG12 :: 1.551 HG13 :: 1.551 HD1 :: 1.000 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 :: 121.263 Ave N Shift Values>> N :: 121.6(4.72) K228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.15 M 0.01 G 0.01 HN Overlap>> Y59 C Shift Assignments>> C :: 176.417 CA :: 59.340 CB :: 33.609 CG :: 24.780 CD :: 29.475 CE :: 42.136 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 :: 8.609 HA :: 3.989 HB2 :: 1.818 HB3 :: 1.678 HG2 :: 1.442 HG3 :: 1.368 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 2.989 HE3 :: 2.989 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 :: 123.466 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D229 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 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.711 CA :: 52.553 CB :: 42.207 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 :: 7.156 HA :: 4.011 HB2 :: 2.765 HB3 :: 2.765 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 :: 112.165 Ave N Shift Values>> N :: 120.73(4.2) K230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.34 R 0.15 M 0.09 HN Overlap>> K30 C Shift Assignments>> C :: 177.939 CA :: 57.937 CB :: 31.839 CG :: 23.390 CD :: 29.806 CE :: 41.738 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 :: 7.507 HA :: 3.193 HB2 :: 1.086 HB3 :: 1.365 HG2 :: 1.098 HG3 :: 1.177 HD2 :: 1.575 HD3 :: 1.492 HE2 :: 2.558 HE3 :: 2.558 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.051 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 N 0.35 D 0.09 C Shift Assignments>> C :: 177.896 CA :: 56.009 CB :: 37.510 CG :: 176.230 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 :: 7.792 HA :: 4.286 HB2 :: 2.867 HB3 :: 2.589 HD21 :: 6.800 HD22 :: 7.600 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 :: 120.371 ND2 :: 113.370 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.22 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.676 CA :: 59.361 CB :: 29.152 CG :: 36.366 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 :: 8.353 HA :: 4.125 HB2 :: 2.094 HB3 :: 2.094 HG2 :: 2.462 HG3 :: 2.462 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 :: 122.480 Ave N Shift Values>> N :: 120.68(3.68) A233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.25 I 0.06 C 0.02 C Shift Assignments>> C :: 178.576 CA :: 55.609 CB :: 17.604 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.921 HA :: 3.995 HB :: 1.593 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.240 Ave N Shift Values>> N :: 123.23(3.7) A234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.44 C 0.02 I 0.01 C Shift Assignments>> C :: 178.332 CA :: 54.077 CB :: 17.868 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.559 HA :: 4.240 HB :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.691 Ave N Shift Values>> N :: 123.23(3.7) R235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.12 G 0.07 HN Overlap>> K95 C Shift Assignments>> C :: 178.022 CA :: 57.573 CB :: 30.378 CG :: 27.892 CD :: 43.380 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 :: 7.315 HA :: 4.263 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 1.597 HG3 :: 1.778 HD2 :: 3.219 HD3 :: 3.219 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 :: 115.385 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 176.366 CA :: 64.231 CB :: 41.096 CG1 :: 28.267 CG2 :: 16.902 CD1 :: 14.671 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 :: 7.583 HA :: 4.260 HB :: 1.970 HG2 :: 1.299 HG12 :: 1.808 HG13 :: 1.287 HD1 :: 0.929 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.302 Ave N Shift Values>> N :: 121.6(4.72) V237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 173.164 CA :: 62.227 CB :: 34.253 CG1 :: 22.638 CG2 :: 23.760 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 :: 8.499 HA :: 4.307 HB :: 1.969 HG1 :: 0.899 HG2 :: 1.039 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.563 Ave N Shift Values>> N :: 121.02(4.96) A238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.28 C 0.04 L 0.03 C Shift Assignments>> C :: 177.069 CA :: 53.515 CB :: 20.002 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.200 HA :: 4.498 HB :: 1.252 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.235 Ave N Shift Values>> N :: 123.23(3.7) L239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 G 0.31 L 0.1 C Shift Assignments>> C :: 174.573 CA :: 54.004 CB :: 47.215 CG :: 26.826 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 :: 7.276 HA :: 4.887 HB2 :: 1.552 HB3 :: 1.351 HG :: 0.771 HD1 :: 0.974 HD2 :: 0.974 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.575 Ave N Shift Values>> N :: 121.98(4.07) V240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 C 0.49 C Shift Assignments>> C :: 173.615 CA :: 60.110 CB :: 34.885 CG1 :: 21.590 CG2 :: 21.692 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 :: 7.876 HA :: 4.268 HB :: 1.895 HG1 :: 0.795 HG2 :: 0.743 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 :: 116.081 Ave N Shift Values>> N :: 121.02(4.96) K241 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 K 0.34 R 0.27 M 0.02 G 0.02 C Shift Assignments>> C :: 175.297 CA :: 57.121 CB :: 32.297 CG :: 25.662 CD :: 29.154 CE :: 42.616 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 :: 7.215 HA :: 3.727 HB2 :: 0.221(S) HB3 :: 0.921(S) HG2 :: 1.115 HG3 :: 1.491 HD2 :: 1.429 HD3 :: 1.429 HE2 :: 2.884 HE3 :: 2.974 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) N242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.26 D 0.24 E 0.01 HN Overlap>> E10 C Shift Assignments>> C :: 175.822 CA :: 53.772 CB :: 38.068 CG :: 177.713 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 :: 8.566 HA :: 4.125 HB2 :: 3.207 HB3 :: 2.631 HD21 :: 7.208 HD22 :: 7.397 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 :: 125.296 ND2 :: 112.557 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q243 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.51 C 0.43 E 0.04 C Shift Assignments>> C :: 175.541 CA :: 54.442 CB :: 28.919 CG :: 32.784 CD :: 179.483 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 :: 7.014 HA :: 4.102 HB2 :: 0.822(S) HB3 :: 1.614 HG2 :: 1.445 HG3 :: 1.354(S) HE21 :: 6.978 HE22 :: 6.486 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 :: 122.114 NE2 :: 112.538 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> T193 C Shift Assignments>> C :: 174.139 CA :: 62.227 CB :: 69.587 CG2 :: 21.409 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.099 HA :: 4.211 HB :: 4.069 HG2 :: 1.153 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 :: 115.745 Ave N Shift Values>> N :: 115.7(5.05) T245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> V138 D179 C Shift Assignments>> C :: 173.948 CA :: 61.241 CB :: 69.832 CG2 :: 21.359 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 :: 8.056 HA :: 4.338 HB :: 4.173 HG2 :: 1.142 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.655 Ave N Shift Values>> N :: 115.7(5.05) A246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.17 C 0.02 C Shift Assignments>> C :: 176.850 CA :: 52.253 CB :: 19.507 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.242 HA :: 4.293 HB :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.570 Ave N Shift Values>> N :: 123.23(3.7) A247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 HN Overlap>> E210 C Shift Assignments>> C :: 176.140 CA :: 52.282 CB :: 19.368 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.163 HA :: 4.280 HB :: 1.336 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.233 Ave N Shift Values>> N :: 123.23(3.7) A248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.3 L 0.05 C 0.05 V 0.01 C Shift Assignments>> C :: 182.207 CA :: 53.701 CB :: 20.287 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.780 HA :: 4.084 HB :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.834 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 230 #Clerical: 0 #Suspicious: 17 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 245 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 246 #Suspicious: 2 C Shift Results: #Consistent:1009 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1393 #Duplicate: 0 #Unknown: 0 #Suspicious: 26 #Anomalous: 1 N Shift Results: #Consistent: 241 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: P6 HB3 = 0.703(S), Expected = 2.05, Std = 0.3900, ChiSquare = 5.5265e-04 Y21 HB3 = 1.359(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.7664e-05 D31 HB3 = 0.987(S), Expected = 2.70, Std = 0.2900, ChiSquare = 3.4861e-09 I42 HD1 = -0.545(S), Expected = 0.70, Std = 0.3000, ChiSquare = 3.3248e-05 Y59 HA = 6.570(S), Expected = 4.63, Std = 0.5600, ChiSquare = 5.3164e-04 Y59 SRO Rule Break>> HE1 > HA : 1 Y59 SRO Rule Break>> HE2 > HA : 0.999400119976005 R84 HB2 = 0.509(S), Expected = 1.79, Std = 0.2800, ChiSquare = 4.7622e-06 R84 HB3 = 0.509(S), Expected = 1.78, Std = 0.2800, ChiSquare = 5.6445e-06 R84 HG2 = -0.293(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.0041e-12 R84 HD2 = 2.243(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.1501e-04 W91 HB3 = 1.706(S), Expected = 3.18, Std = 0.3600, ChiSquare = 4.2318e-05 E92 HG3 = 3.191(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.7259e-05 L102 HG = 0.444(S), Expected = 1.54, Std = 0.3300, ChiSquare = 8.9627e-04 L102 HD1 = -0.252(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5359e-04 P106 HG2 = -0.165(S), Expected = 1.93, Std = 0.3600, ChiSquare = 5.9044e-09 R107 HB2 = 0.278(S), Expected = 1.79, Std = 0.2800, ChiSquare = 6.6641e-08 R107 HD2 = 2.233(S), Expected = 3.13, Std = 0.2300, ChiSquare = 9.6193e-05 R107 HD3 = 2.402(S), Expected = 3.13, Std = 0.2200, ChiSquare = 9.3599e-04 L109 HG = 0.354(S), Expected = 1.54, Std = 0.3300, ChiSquare = 3.2572e-04 G113 HA2 = 2.108(S), Expected = 3.95, Std = 0.4000, ChiSquare = 4.1247e-06 L141 HG = 0.128(S), Expected = 1.54, Std = 0.3300, ChiSquare = 1.8791e-05 R170 HG2 = 0.445(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.6258e-05 R170 HD3 = 0.898(M), Expected = 3.13, Std = 0.2200, ChiSquare = 3.4716e-24 R170 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 R170 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 R170 SRO Rule Break>> HD3 > HG3 : 0.998244844229925 I219 HD1 = -0.516(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.0493e-05 K241 HB2 = 0.221(S), Expected = 1.79, Std = 0.2500, ChiSquare = 3.4739e-10 K241 HB3 = 0.921(S), Expected = 1.78, Std = 0.2600, ChiSquare = 9.5368e-04 Q243 HB2 = 0.822(S), Expected = 2.05, Std = 0.2800, ChiSquare = 1.1561e-05 Q243 HG3 = 1.354(S), Expected = 2.32, Std = 0.2900, ChiSquare = 8.6524e-04