M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.43 A 0.09 C Shift Assignments>> C :: 175.343 CA :: 56.150 CB :: 32.922 CG :: 31.700 CE :: 16.870 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.260 HA :: 4.216 HB2 :: 1.777 HB3 :: 1.732 HG2 :: 2.260 HG3 :: 2.150 HE :: 2.050 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.844 Ave N Shift Values>> N :: 120.1(3.88) F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.19 C 0.17 D 0.17 L 0.09 N 0.09 I 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 173.553 CA :: 56.054 CB :: 39.675 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 :: 8.197 HA :: 4.700 HB2 :: 2.952 HB3 :: 2.838 HD1 :: 7.160 HE1 :: 7.390 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.458 Ave N Shift Values>> N :: 120.69(4.18) N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.19 K 0.18 C 0.1 R 0.08 F 0.08 Y 0.06 N 0.03 C Shift Assignments>> C :: 173.751 CA :: 55.076 CB :: 41.761 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 :: 8.764 HA :: 4.957 HB2 :: 2.731 HB3 :: 2.731 HD21 :: 7.687 HD22 :: 6.839 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.417 ND2 :: 114.100 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.28 C 0.12 L 0.11 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 174.195 CA :: 52.335 CB :: 40.539 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 :: 8.789 HA :: 5.752 HB2 :: 2.823 HB3 :: 2.613 HD21 :: 7.620 HD22 :: 6.631 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.982 ND2 :: 113.884 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 172.307 CA :: 59.684 CB :: 40.679 CG1 :: 28.020 CG2 :: 16.900 CD1 :: 13.550 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 :: 9.604 HA :: 4.889 HB :: 1.852 HG2 :: 0.519 HG12 :: 1.365 HG13 :: 1.185 HD1 :: 0.695 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 :: 127.362 Ave N Shift Values>> N :: 121.6(4.72) L26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.36 L 0.3 G 0.17 C 0.14 R 0.01 C Shift Assignments>> C :: 174.379 CA :: 51.822 CB :: 43.326 CG :: 26.020 CD1 :: 25.850 CD2 :: 21.400 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.262 HA :: 4.486 HB2 :: 1.189 HB3 :: -0.430(S) HG :: 0.880 HD1 :: 0.320 HD2 :: 0.070 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 :: 128.048 Ave N Shift Values>> N :: 121.98(4.07) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 175.351 CA :: 60.236 CB :: 32.134 CG1 :: 22.800 CG2 :: 20.710 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 :: 8.990 HA :: 4.975 HB :: 1.605 HG1 :: 0.485 HG2 :: 0.635 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 :: 126.786 Ave N Shift Values>> N :: 121.02(4.96) V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.29 I 0.02 C Shift Assignments>> C :: 175.946 CA :: 60.956 CB :: 36.293 CG1 :: 21.670 CG2 :: 23.540 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 :: 8.968 HA :: 5.255 HB :: 1.552 HG1 :: 0.842 HG2 :: 0.583 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 :: 125.073 Ave N Shift Values>> N :: 121.02(4.96) C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.13 W 0.13 M 0.12 E 0.11 K 0.11 H 0.11 Q 0.07 V 0.03 I 0.01 HN Overlap>> V167 C Shift Assignments>> C :: 173.602 CA :: 57.491 CB :: 31.426 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.676 HA :: 4.806 HB2 :: 3.560 HB3 :: 3.048 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 :: 125.751 Ave N Shift Values>> N :: 119.95(4.79) V30 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 :: 176.849 CA :: 66.550 CB :: 31.550 CG1 :: 21.130 CG2 :: 22.600 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 :: 8.435 HA :: 3.785 HB :: 2.265 HG1 :: 0.870 HG2 :: 0.896 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 :: 121.566 Ave N Shift Values>> N :: 121.02(4.96) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 174.345 CA :: 47.137 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.910 HA2 :: 4.086 HA3 :: 3.720 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.372 Ave N Shift Values>> N :: 109.91(4.29) N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.15 L 0.13 C 0.13 F 0.11 Y 0.1 K 0.05 C Shift Assignments>> CA :: 54.547 CB :: 40.300 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 :: 8.746 HA :: 3.864 HB2 :: 3.190 HB3 :: 1.937 HD21 :: 7.136 HD22 :: 7.136 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.984 ND2 :: 106.900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.73 C 0.25 C Shift Assignments>> CA :: 63.200 CB :: 41.300 CG1 :: 26.500 CG2 :: 19.490 CD1 :: 15.434 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>> HA :: 4.590 HB :: 2.140 HG2 :: 0.930 HG12 :: 1.670 HG13 :: 0.815 HD1 :: 0.640 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) C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.14 R 0.13 W 0.11 K 0.09 Q 0.07 E 0.07 H 0.06 L 0.03 P 0.02 C Shift Assignments>> C :: 176.660 CA :: 59.800 CB :: 27.800 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.160 HA :: 4.820 HB2 :: 4.120 HB3 :: 3.175 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.600 Ave N Shift Values>> N :: 119.95(4.79) R35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 R 0.4 K 0.14 G 0.02 C Shift Assignments>> C :: 177.610 CA :: 60.880 CB :: 30.400 CG :: 27.100 CD :: 42.120 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 :: 10.401(S) HA :: 3.830 HB2 :: 2.220 HB3 :: 2.050 HG2 :: 1.590 HG3 :: 1.880 HD2 :: 3.000 HD3 :: 3.000 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 :: 125.284 NE :: 114.000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.57 T 0.41 C Shift Assignments>> CA :: 64.500 CB :: 62.500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.905 HA :: 3.770 HB2 :: 3.625 HB3 :: 3.810 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 :: 117.390 Ave N Shift Values>> N :: 116.3(3.95) P37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.65 C 0.3 G 0.03 C Shift Assignments>> C :: 177.541 CA :: 65.027 CB :: 28.425 CG :: 27.670 CD :: 49.200 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 :: 0.500(S) HB3 :: 0.960 HG2 :: 0.865 HG3 :: 1.220 HD2 :: 3.195 HD3 :: 3.290 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) T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 174.574 CA :: 67.390 CB :: 68.296 CG2 :: 22.000 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 :: 6.292 HA :: 3.690 HB :: 4.224 HG2 :: 1.130 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 :: 111.262 Ave N Shift Values>> N :: 115.7(5.05) A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 A 0.34 L 0.08 C 0.07 V 0.03 T 0.01 HN Overlap>> L78 C Shift Assignments>> C :: 177.508 CA :: 55.066 CB :: 20.460 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.028 HA :: 3.605 HB :: 0.648 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.810 Ave N Shift Values>> N :: 123.23(3.7) E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 M 0.09 Q 0.07 K 0.07 I 0.07 C Shift Assignments>> C :: 177.148 CA :: 58.858 CB :: 30.488 CG :: 35.600 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 :: 8.587 HA :: 3.655 HB2 :: 1.910 HB3 :: 2.101 HG2 :: 1.800 HG3 :: 1.914 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.627 Ave N Shift Values>> N :: 120.68(3.68) R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.23 L 0.22 R 0.18 C Shift Assignments>> C :: 179.943 CA :: 56.716 CB :: 28.064 CG :: 27.300 CD :: 41.400 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 :: 7.310 HA :: 4.081 HB2 :: 1.912 HB3 :: 1.760 HG2 :: 1.860 HG3 :: 2.000 HD2 :: 3.165 HD3 :: 3.290 HE :: 7.390 HH11 :: 6.760 HH12 :: 6.760 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 :: 114.375 NE :: 115.200 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.31 G 0.18 R 0.05 C Shift Assignments>> CA :: 58.032 CB :: 43.828 CG :: 26.200 CD1 :: 23.900 CD2 :: 25.700 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 :: 8.175 HA :: 3.890 HB2 :: 1.126 HB3 :: 1.965 HG :: 1.690 HD1 :: 0.970 HD2 :: 0.375 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 :: 122.253 Ave N Shift Values>> N :: 121.98(4.07) L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.37 R 0.12 G 0.02 C Shift Assignments>> C :: 178.312 CA :: 58.427 CB :: 42.369 CG :: 27.800 CD1 :: 24.500 CD2 :: 24.666 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 :: 8.487 HA :: 4.285 HB2 :: 1.735 HB3 :: 1.820 HD1 :: 0.898 HD2 :: 1.020 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 :: 118.368 Ave N Shift Values>> N :: 121.98(4.07) Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 K 0.23 E 0.14 M 0.05 R 0.04 I 0.01 C Shift Assignments>> C :: 178.069 CA :: 57.848 CB :: 29.177 CG :: 34.000 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 :: 8.096 HA :: 4.060 HB2 :: 2.045 HB3 :: 2.180 HG2 :: 2.605 HG3 :: 2.605 HE21 :: 7.210 HE22 :: 7.210 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.306 NE2 :: 114.140 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.28 G 0.26 K 0.03 L 0.02 HN Overlap>> L98 C Shift Assignments>> C :: 178.065 CA :: 58.552 CB :: 29.930 CG :: 25.700 CD :: 44.400 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 :: 7.340 HA :: 4.030 HB2 :: 1.850 HB3 :: 1.850 HG2 :: 1.530 HG3 :: 1.260 HD2 :: 3.085 HD3 :: 2.860 HE :: 7.180 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 :: 117.423 NE :: 114.850 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.18 I 0.16 L 0.03 D 0.02 K 0.02 E 0.01 C Shift Assignments>> C :: 176.193 CA :: 59.000 CB :: 39.743 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 :: 7.369 HA :: 4.585 HB2 :: 3.225 HB3 :: 2.760 HD1 :: 7.120 HE1 :: 6.810 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 :: 115.171 Ave N Shift Values>> N :: 120.79(4.69) H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 C 0.16 R 0.14 M 0.12 W 0.11 Q 0.11 E 0.08 K 0.07 C Shift Assignments>> C :: 176.193 CA :: 53.964 CB :: 30.642 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 :: 8.276 HA :: 5.265 HB2 :: 2.710 HB3 :: 3.390 HD2 :: 6.810 HE1 :: 8.430 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.595 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P48 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>> C :: 176.769 CA :: 64.459 CB :: 32.280 CG :: 27.100 CD :: 50.600 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 :: 4.664 HB2 :: 2.511 HB3 :: 2.080 HG2 :: 2.090 HG3 :: 2.090 HD2 :: 3.495 HD3 :: 3.791 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) E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.29 K 0.16 Q 0.12 M 0.04 I 0.04 C Shift Assignments>> C :: 176.491 CA :: 56.670 CB :: 29.155 CG :: 35.600 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 :: 9.290 HA :: 4.459 HB2 :: 2.093 HB3 :: 2.209 HG2 :: 2.300 HG3 :: 2.555 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 :: 118.285 Ave N Shift Values>> N :: 120.68(3.68) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.19 G 0.09 A 0.08 K 0.01 HN Overlap>> L150 C Shift Assignments>> C :: 176.077 CA :: 53.893 CB :: 43.183 CD1 :: 25.600 CD2 :: 22.720 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 :: 7.462 HA :: 4.582 HB2 :: 1.581 HB3 :: 1.396 HD1 :: 0.690 HD2 :: 0.830 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.840 Ave N Shift Values>> N :: 121.98(4.07) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.34 R 0.16 M 0.06 Q 0.03 V 0.01 C Shift Assignments>> C :: 174.211 CA :: 55.852 CB :: 32.027 CG :: 24.960 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 :: 8.305 HA :: 4.785 HB2 :: 2.260 HB3 :: 1.860 HG2 :: 1.390 HG3 :: 1.490 HD2 :: 1.730 HD3 :: 1.730 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 :: 123.882 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.605 CA :: 60.293 CB :: 33.645 CG1 :: 23.200 CG2 :: 20.950 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 :: 8.419 HA :: 5.244 HB :: 1.959 HG1 :: 0.980 HG2 :: 0.768 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 :: 126.902 Ave N Shift Values>> N :: 121.02(4.96) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 M 0.04 E 0.02 C Shift Assignments>> C :: 174.581 CA :: 54.050 CB :: 34.800 CG :: 37.600 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 :: 8.728 HA :: 4.814 HB2 :: 1.715 HB3 :: 2.260 HG2 :: 2.277 HG3 :: 2.470 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 :: 124.835 Ave N Shift Values>> N :: 120.68(3.68) S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.75 T 0.24 C Shift Assignments>> C :: 173.831 CA :: 57.759 CB :: 66.646 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.015 HA :: 5.783 HB2 :: 3.685 HB3 :: 3.685 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 :: 112.893 Ave N Shift Values>> N :: 116.3(3.95) A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 L 0.32 C 0.14 M 0.13 K 0.02 HN Overlap>> M117 C Shift Assignments>> C :: 174.606 CA :: 51.651 CB :: 22.363 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.410 HA :: 4.482 HB :: 1.114 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.511 Ave N Shift Values>> N :: 123.23(3.7) G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.200 CA :: 44.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.646 HA2 :: 4.945 HA3 :: 3.065 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.770 Ave N Shift Values>> N :: 109.91(4.29) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.3 G 0.14 R 0.09 C Shift Assignments>> C :: 177.215 CA :: 57.471 CB :: 43.800 CG :: 27.200 CD1 :: 25.040 CD2 :: 23.280 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 :: 8.836 HA :: 4.022 HB2 :: 1.550 HB3 :: 1.380 HG :: 1.400 HD1 :: 0.500 HD2 :: 0.730 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 :: 122.580 Ave N Shift Values>> N :: 121.98(4.07) G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.14 L 0.04 C Shift Assignments>> C :: 174.068 CA :: 46.696 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.200 HA2 :: 4.616 HA3 :: 3.140 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.300 Ave N Shift Values>> N :: 109.91(4.29) A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.17 C 0.03 L 0.02 C Shift Assignments>> C :: 178.078 CA :: 52.249 CB :: 19.991 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.756 HA :: 3.910 HB :: 0.990 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.783 Ave N Shift Values>> N :: 123.23(3.7) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.37 A 0.03 C Shift Assignments>> C :: 174.853 CA :: 53.345 CB :: 38.373 CG :: 27.800 CD1 :: 25.400 CD2 :: 24.000 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 :: 7.634 HA :: 4.555 HB2 :: 1.457 HB3 :: 1.552 HG :: 1.630 HD1 :: 0.870 HD2 :: 0.880 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 :: 124.666 Ave N Shift Values>> N :: 121.98(4.07) V61 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 :: 177.508 CA :: 65.629 CB :: 31.921 CG1 :: 21.400 CG2 :: 22.500 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 :: 7.074 HA :: 3.054 HB :: 1.929 HG1 :: 0.960 HG2 :: 1.035 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 :: 117.074 Ave N Shift Values>> N :: 121.02(4.96) G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 174.380 CA :: 45.259 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.658 HA2 :: 3.787 HA3 :: 4.285 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.649 Ave N Shift Values>> N :: 109.91(4.29) K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 176.667 CA :: 56.115 CB :: 33.000 CG :: 25.770 CD :: 28.460 CE :: 42.200 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 :: 7.844 HA :: 4.387 HB2 :: 2.055 HB3 :: 2.158 HG2 :: 1.380 HG3 :: 1.510 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 3.000 HE3 :: 3.090 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.325 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 173.297 CA :: 43.708 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.112 HA2 :: 3.707 HA3 :: 4.668 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.710 Ave N Shift Values>> N :: 109.91(4.29) A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C 0.01 HN Overlap>> R91 C Shift Assignments>> C :: 175.724 CA :: 51.800 CB :: 18.790 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.418 HA :: 4.360 HB :: 1.195 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.083 Ave N Shift Values>> N :: 123.23(3.7) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.1 L 0.07 C Shift Assignments>> CA :: 52.661 CB :: 46.120 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 :: 8.360 HA :: 4.300 HB2 :: 2.668 HB3 :: 2.790 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 :: 120.980 Ave N Shift Values>> N :: 120.73(4.2) P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 179.553 CA :: 65.839 CB :: 32.500 CG :: 27.770 CD :: 51.370 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 :: 4.155 HB2 :: 1.975 HB3 :: 2.405 HG2 :: 2.085 HG3 :: 2.169 HD2 :: 3.796 HD3 :: 4.030 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) T68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.62 C 0.35 S 0.01 C Shift Assignments>> CA :: 66.090 CB :: 66.050 CG2 :: 23.860 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 :: 8.991 HA :: 3.825 HB :: 2.738(S) HG2 :: 0.677 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 :: 118.733 Ave N Shift Values>> N :: 115.7(5.05) A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.24 I 0.06 C 0.02 C Shift Assignments>> C :: 181.380 CA :: 55.660 CB :: 17.520 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.404 HA :: 4.110 HB :: 1.740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.769 Ave N Shift Values>> N :: 123.23(3.7) I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.133 CA :: 66.043 CB :: 38.293 CG1 :: 30.200 CG2 :: 16.800 CD1 :: 13.900 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 :: 8.661 HA :: 3.515 HB :: 1.862 HG2 :: 0.905 HG12 :: 1.686 HG13 :: 0.760 HD1 :: 0.815 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 :: 119.110 Ave N Shift Values>> N :: 121.6(4.72) S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S154 C Shift Assignments>> C :: 177.946 CA :: 61.372 CB :: 63.003 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.881 HA :: 4.210 HB2 :: 3.970 HB3 :: 4.100 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 :: 116.124 Ave N Shift Values>> N :: 116.3(3.95) V72 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 :: 178.028 CA :: 66.236 CB :: 31.814 CG1 :: 21.200 CG2 :: 23.300 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.371 HA :: 3.736 HB :: 2.000 HG1 :: 0.920 HG2 :: 1.060 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 :: 120.152 Ave N Shift Values>> N :: 121.02(4.96) A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.23 I 0.07 C 0.03 C Shift Assignments>> C :: 180.397 CA :: 55.816 CB :: 17.700 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.997 HA :: 3.956 HB :: 1.655 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.461 Ave N Shift Values>> N :: 123.23(3.7) A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.3 I 0.05 C 0.02 C Shift Assignments>> C :: 181.719 CA :: 55.315 CB :: 17.644 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.585 HA :: 4.064 HB :: 1.550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.979 Ave N Shift Values>> N :: 123.23(3.7) E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.14 K 0.08 Q 0.03 M 0.03 C Shift Assignments>> C :: 176.595 CA :: 58.491 CB :: 29.486 CG :: 36.330 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 :: 7.502 HA :: 4.004 HB2 :: 1.895 HB3 :: 1.964 HG2 :: 2.070 HG3 :: 2.377 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.938 Ave N Shift Values>> N :: 120.68(3.68) H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 K 0.15 C 0.13 W 0.1 R 0.1 E 0.08 L 0.05 M 0.03 C Shift Assignments>> C :: 173.556 CA :: 54.504 CB :: 28.816 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 :: 7.556 HA :: 4.602 HB2 :: 3.720 HB3 :: 2.779 HD2 :: 6.960 HE1 :: 8.380 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 :: 116.080 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.31 Q 0.1 R 0.04 I 0.03 M 0.03 E 0.03 C Shift Assignments>> C :: 173.122 CA :: 57.418 CB :: 25.521 CG :: 34.660 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 :: 7.884 HA :: 3.872 HB2 :: 2.305 HB3 :: 2.370 HG2 :: 2.280 HG3 :: 2.340 HE21 :: 7.521 HE22 :: 6.646 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 :: 113.486 NE2 :: 112.850 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 G 0.33 C 0.18 R 0.05 A 0.03 HN Overlap>> A39 C Shift Assignments>> C :: 174.979 CA :: 53.461 CB :: 44.359 CG :: 26.500 CD1 :: 26.800 CD2 :: 23.400 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 :: 7.926 HA :: 4.589 HB2 :: 1.260 HB3 :: 1.970 HG :: 1.300 HD1 :: 1.040 HD2 :: 0.824 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.847 Ave N Shift Values>> N :: 121.98(4.07) S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.515 CA :: 56.955 CB :: 63.600 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.719 HA :: 4.485 HB2 :: 3.870 HB3 :: 3.870 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 :: 120.946 Ave N Shift Values>> N :: 116.3(3.95) L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.24 R 0.08 A 0.01 C Shift Assignments>> C :: 175.926 CA :: 53.741 CB :: 41.758 CG :: 27.650 CD1 :: 25.440 CD2 :: 23.900 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 :: 8.504 HA :: 4.464 HB2 :: 1.603 HB3 :: 1.395 HG :: 1.475 HD1 :: 0.620 HD2 :: 0.594 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 :: 128.081 Ave N Shift Values>> N :: 121.98(4.07) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.1 I 0.07 M 0.07 Q 0.06 C Shift Assignments>> C :: 178.049 CA :: 57.741 CB :: 29.923 CG :: 36.010 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 :: 7.968 HA :: 4.063 HB2 :: 1.883 HB3 :: 2.000 HG2 :: 2.330 HG3 :: 2.330 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.520 Ave N Shift Values>> N :: 120.68(3.68) G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.135 CA :: 45.648 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.083 HA2 :: 3.777 HA3 :: 4.172 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.095 Ave N Shift Values>> N :: 109.91(4.29) H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 R 0.13 W 0.12 M 0.12 K 0.12 E 0.11 H 0.1 Q 0.06 V 0.04 I 0.01 HN Overlap>> L92 C Shift Assignments>> C :: 174.131 CA :: 57.725 CB :: 31.660 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 :: 7.615 HA :: 4.302 HB2 :: 2.790 HB3 :: 3.103 HD1 :: 6.730 HD2 :: 6.480 HE1 :: 7.610 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 :: 119.477 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) C84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 R 0.13 Q 0.13 C 0.11 W 0.11 H 0.1 E 0.1 L 0.05 I 0.05 M 0.01 C Shift Assignments>> C :: 172.854 CA :: 57.513 CB :: 28.226 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.488 HA :: 4.160 HB2 :: 2.455 HB3 :: 2.595 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 :: 127.377 Ave N Shift Values>> N :: 119.95(4.79) A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 178.513 CA :: 52.573 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 :: 8.912 HA :: 4.510 HB :: 1.366 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.360 Ave N Shift Values>> N :: 123.23(3.7) R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.29 R 0.1 K 0.08 C Shift Assignments>> C :: 173.274 CA :: 54.494 CB :: 34.171 CG :: 25.500 CD :: 44.110 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 :: 9.263 HA :: 4.691 HB2 :: 1.710 HB3 :: 1.800 HG2 :: 1.605 HG3 :: 1.710 HD2 :: 3.165 HD3 :: 3.260 HE :: 7.060 HH21 :: 6.280 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.868 NE :: 114.100 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.28 R 0.2 M 0.14 Q 0.08 C Shift Assignments>> C :: 175.453 CA :: 53.925 CB :: 29.100 CG :: 31.600 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 :: 8.848 HA :: 4.490 HB2 :: 1.840 HB3 :: 2.020 HG2 :: 2.735 HG3 :: 2.500 HE21 :: 7.310 HE22 :: 6.715 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 :: 125.442 NE2 :: 113.251 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.46 C Shift Assignments>> C :: 171.433 CA :: 61.563 CB :: 39.448 CG1 :: 30.120 CG2 :: 17.400 CD1 :: 16.900 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 :: 8.448 HA :: 3.955 HB :: 1.333 HG2 :: 0.780 HG12 :: 1.210 HG13 :: 1.280 HD1 :: 0.750 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 :: 127.457 Ave N Shift Values>> N :: 121.6(4.72) S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.81 T 0.18 C Shift Assignments>> C :: 174.266 CA :: 56.602 CB :: 66.677 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.739 HA :: 4.792 HB2 :: 4.231 HB3 :: 3.979 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 :: 116.198 Ave N Shift Values>> N :: 116.3(3.95) R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.34 G 0.27 K 0.01 C Shift Assignments>> C :: 177.573 CA :: 61.059 CB :: 30.094 CG :: 26.850 CD :: 44.000 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 :: 9.493 HA :: 3.815 HB2 :: 1.975 HB3 :: 1.955 HG2 :: 1.610 HG3 :: 1.720 HD2 :: 3.290 HD3 :: 3.420 HE :: 8.370 HH11 :: 6.980 HH21 :: 6.980 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.761 NE :: 115.600 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.4 K 0.1 P 0.02 HN Overlap>> A65 C Shift Assignments>> C :: 178.458 CA :: 59.102 CB :: 29.873 CG :: 27.200 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 :: 8.401 HA :: 3.905 HB2 :: 1.875 HB3 :: 1.755 HG2 :: 1.625 HG3 :: 1.625 HD2 :: 3.420 HD3 :: 3.180 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 :: 117.173 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.3 R 0.16 G 0.04 HN Overlap>> H83 C Shift Assignments>> C :: 179.016 CA :: 57.824 CB :: 42.935 CG :: 27.200 CD1 :: 25.820 CD2 :: 24.300 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 :: 7.616 HA :: 4.164 HB2 :: 1.720 HB3 :: 1.790 HG :: 1.810 HD1 :: 0.870 HD2 :: 1.080 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 :: 119.519 Ave N Shift Values>> N :: 121.98(4.07) C93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 I 0.4 C 0.04 V 0.01 W 0.01 C Shift Assignments>> C :: 174.789 CA :: 64.580 CB :: 27.456 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.621 HA :: 3.900 HB2 :: 3.196 HB3 :: 2.625 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 :: 113.329 Ave N Shift Values>> N :: 119.95(4.79) R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 R 0.14 H 0.12 C 0.12 Q 0.11 K 0.07 M 0.06 I 0.02 V 0.01 C Shift Assignments>> C :: 176.633 CA :: 57.594 CB :: 30.344 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 :: 7.074 HA :: 4.350 HB2 :: 1.831 HB3 :: 1.955 HG2 :: 1.810 HG3 :: 1.700 HD2 :: 3.180 HE :: 7.530 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 :: 112.691 NE :: 114.600 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.17 D 0.16 Y 0.09 F 0.07 L 0.03 E 0.02 HN Overlap>> Q160 C Shift Assignments>> C :: 173.711 CA :: 53.464 CB :: 38.522 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 :: 7.477 HA :: 4.509 HB2 :: 2.501 HB3 :: 2.501 HD21 :: 7.266 HD22 :: 6.814 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 :: 115.917 ND2 :: 112.250 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 C 0.15 K 0.14 L 0.1 I 0.06 D 0.06 R 0.02 C Shift Assignments>> C :: 173.673 CA :: 58.112 CB :: 40.870 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 :: 7.290 HA :: 4.493 HB2 :: 2.990 HB3 :: 2.407 HD1 :: 6.835 HE1 :: 6.620 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.799 Ave N Shift Values>> N :: 120.79(4.69) D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.23 G 0.22 C 0.13 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.698 CA :: 55.768 CB :: 44.307 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 :: 9.154 HA :: 4.704 HB2 :: 2.770 HB3 :: 3.159 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 :: 118.843 Ave N Shift Values>> N :: 120.73(4.2) L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 C 0.24 L 0.2 A 0.14 HN Overlap>> R45 C Shift Assignments>> C :: 173.452 CA :: 54.143 CB :: 46.112 CG :: 27.070 CD1 :: 25.170 CD2 :: 22.000 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 :: 7.345 HA :: 4.617 HB2 :: 1.145 HB3 :: 1.267 HG :: 0.900 HD1 :: 0.145 HD2 :: 0.504 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 :: 117.418 Ave N Shift Values>> N :: 121.98(4.07) I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 173.792 CA :: 59.325 CB :: 39.478 CG1 :: 27.150 CG2 :: 18.300 CD1 :: 13.880 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 :: 8.753 HA :: 5.080 HB :: 1.746 HG2 :: 0.660 HG12 :: 1.440 HG13 :: 0.975 HD1 :: 0.862 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 :: 125.510 Ave N Shift Values>> N :: 121.6(4.72) L100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.71 L 0.17 C 0.08 A 0.02 C Shift Assignments>> C :: 176.624 CA :: 51.428 CB :: 45.512 CG :: 26.440 CD1 :: 23.650 CD2 :: 23.900 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 :: 9.020 HA :: 5.641 HB2 :: 1.020 HB3 :: 1.660 HG :: 1.010 HD1 :: -0.230(S) HD2 :: 0.051 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 :: 124.946 Ave N Shift Values>> N :: 121.98(4.07) T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.18 A 0.01 C Shift Assignments>> C :: 174.850 CA :: 59.269 CB :: 71.128 CG2 :: 20.540 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 :: 8.969 HA :: 5.640 HB :: 4.170 HG2 :: 0.960 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 :: 113.919 Ave N Shift Values>> N :: 115.7(5.05) M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.4 A 0.11 V 0.02 I 0.02 C Shift Assignments>> C :: 176.598 CA :: 56.488 CB :: 34.340 CE :: 18.500 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.260 HA :: 5.184 HB2 :: 2.440 HB3 :: 2.580 HG2 :: 2.860 HG3 :: 2.860 HE :: 1.230 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.992 Ave N Shift Values>> N :: 120.1(3.88) E103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 M 0.16 E 0.12 C Shift Assignments>> C :: 177.158 CA :: 54.055 CB :: 33.158 CG :: 37.400 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 :: 8.015 HA :: 4.662 HB2 :: 0.180(S) HB3 :: 2.130 HG2 :: 1.780 HG3 :: 2.020 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.203 Ave N Shift Values>> N :: 120.68(3.68) K104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 R 0.33 K 0.17 G 0.01 C Shift Assignments>> C :: 180.626 CA :: 61.182 CB :: 31.467 CG :: 27.100 CD :: 29.600 CE :: 42.000 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 :: 10.412(S) HA :: 3.765 HB2 :: 1.786 HB3 :: 1.904 HG2 :: 1.445 HG3 :: 1.445 HD2 :: 1.660 HD3 :: 1.710 HE2 :: 2.965 HE3 :: 2.965 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.937 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.31 K 0.16 L 0.07 G 0.06 C Shift Assignments>> C :: 178.092 CA :: 58.244 CB :: 29.119 CG :: 26.500 CD :: 43.250 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 :: 9.050 HA :: 4.195 HB2 :: 1.790 HB3 :: 1.880 HG2 :: 1.550 HG3 :: 1.440 HD2 :: 3.140 HD3 :: 3.260 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 :: 118.528 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 C 0.18 M 0.18 Q 0.15 R 0.07 W 0.07 H 0.06 E 0.04 V 0.03 C Shift Assignments>> C :: 177.980 CA :: 56.744 CB :: 33.075 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 :: 7.057 HA :: 4.275 HB2 :: 3.641 HB3 :: 3.070 HD1 :: 6.750 HD2 :: 7.490 HE1 :: 8.976 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.294 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.037 CA :: 66.265 CB :: 37.525 CG1 :: 29.000 CG2 :: 16.300 CD1 :: 13.260 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 :: 7.402 HA :: 3.474 HB :: 2.245 HG2 :: 0.820 HG12 :: 1.723 HG13 :: 0.675 HD1 :: 0.825 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 :: 119.150 Ave N Shift Values>> N :: 121.6(4.72) E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.15 K 0.11 Q 0.06 M 0.02 C Shift Assignments>> C :: 179.153 CA :: 59.240 CB :: 29.143 CG :: 35.800 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 :: 7.226 HA :: 3.968 HB2 :: 2.117 HB3 :: 2.117 HG2 :: 2.260 HG3 :: 2.380 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.661 Ave N Shift Values>> N :: 120.68(3.68) R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 K 0.11 G 0.06 C Shift Assignments>> C :: 179.649 CA :: 58.592 CB :: 30.747 CG :: 26.500 CD :: 43.200 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 :: 7.675 HA :: 4.140 HB2 :: 1.990 HB3 :: 1.990 HG2 :: 1.820 HG3 :: 1.888 HD2 :: 3.390 HD3 :: 3.095 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 :: 117.578 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 L 0.32 R 0.27 K 0.03 G 0.01 HN Overlap>> Q166 C Shift Assignments>> C :: 178.312 CA :: 58.352 CB :: 42.361 CG :: 28.000 CD1 :: 26.500 CD2 :: 24.830 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 :: 8.322 HA :: 4.000 HB2 :: 1.393 HB3 :: 2.055 HG :: 1.743 HD1 :: 0.760 HD2 :: 0.820 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.464 Ave N Shift Values>> N :: 121.98(4.07) C111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 I 0.4 C 0.07 W 0.02 R 0.02 C Shift Assignments>> CA :: 62.928 CB :: 26.982 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.257 HA :: 3.989 HB2 :: 2.726 HB3 :: 2.980 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 :: 115.667 Ave N Shift Values>> N :: 119.95(4.79) E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.12 K 0.08 M 0.04 Q 0.03 HN Overlap>> H126 Q157 C Shift Assignments>> C :: 177.809 CA :: 58.301 CB :: 29.679 CG :: 36.300 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.604 HA :: 4.059 HB2 :: 2.160 HB3 :: 2.090 HG2 :: 2.240 HG3 :: 2.410 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 :: 118.896 Ave N Shift Values>> N :: 120.68(3.68) M113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.45 I 0.02 A 0.01 C Shift Assignments>> C :: 175.748 CA :: 57.752 CB :: 33.825 CG :: 31.286 CE :: 16.600 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 :: 7.385 HA :: 4.132 HB2 :: 2.119 HB3 :: 2.245 HG2 :: 2.640 HG3 :: 2.345 HE :: 1.950 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.130 Ave N Shift Values>> N :: 120.1(3.88) A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 G 0.05 M 0.05 C 0.02 C Shift Assignments>> CA :: 49.063 CB :: 19.426 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.111 HA :: 4.844 HB :: 1.130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.705 Ave N Shift Values>> N :: 123.23(3.7) P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 179.421 CA :: 65.280 CB :: 31.630 CG :: 27.310 CD :: 50.000 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 :: 4.506 HB2 :: 2.440 HB3 :: 1.975 HG2 :: 2.050 HG3 :: 2.050 HD2 :: 3.620 HD3 :: 3.360 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) E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.21 K 0.16 Q 0.14 I 0.09 R 0.02 C Shift Assignments>> C :: 177.470 CA :: 58.183 CB :: 27.686 CG :: 35.300 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.257 HA :: 4.315 HB2 :: 2.140 HB3 :: 2.059 HG2 :: 2.020 HG3 :: 2.410 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 :: 118.729 Ave N Shift Values>> N :: 120.68(3.68) M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.35 A 0.28 HN Overlap>> A55 C Shift Assignments>> C :: 176.244 CA :: 53.473 CB :: 29.837 CG :: 32.500 CE :: 16.400 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 :: 8.514 HA :: 4.743 HB2 :: 2.120 HB3 :: 2.020 HG2 :: 2.420 HG3 :: 2.330 HE :: 2.030 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.554 Ave N Shift Values>> N :: 120.1(3.88) R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 G 0.07 K 0.07 L 0.01 C Shift Assignments>> C :: 177.221 CA :: 59.701 CB :: 29.750 CG :: 27.140 CD :: 43.200 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 :: 7.515 HA :: 4.109 HB2 :: 1.930 HB3 :: 1.830 HG2 :: 1.820 HG3 :: 1.690 HD2 :: 3.215 HD3 :: 3.350 HE :: 7.340 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 :: 121.019 NE :: 113.678 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.660 CA :: 45.467 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.899 HA2 :: 3.840 HA3 :: 4.331 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.279 Ave N Shift Values>> N :: 109.91(4.29) K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 K 0.1 C Shift Assignments>> C :: 173.118 CA :: 55.454 CB :: 33.420 CG :: 25.000 CD :: 25.000 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 :: 8.495 HA :: 4.543 HB2 :: 1.800 HB3 :: 2.230 HG2 :: 1.391 HG3 :: 1.391 HD2 :: 1.470 HD3 :: 1.360 HE2 :: 3.110 HE3 :: 3.110 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 :: 119.138 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 C Shift Assignments>> C :: 175.729 CA :: 60.225 CB :: 32.573 CG1 :: 24.200 CG2 :: 21.060 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 :: 6.892 HA :: 5.287 HB :: 1.867 HG1 :: 0.835 HG2 :: 0.826 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.669 Ave N Shift Values>> N :: 121.02(4.96) M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 A 0.29 M 0.15 I 0.01 C Shift Assignments>> C :: 174.260 CA :: 53.760 CB :: 38.158 CG :: 32.000 CE :: 16.050 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.052 HA :: 4.660 HB2 :: 1.600 HB3 :: 2.060 HG2 :: 2.295 HG3 :: 2.060 HE :: 1.510 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.571 Ave N Shift Values>> N :: 120.1(3.88) L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.27 A 0.13 R 0.01 C Shift Assignments>> C :: 179.170 CA :: 54.364 CB :: 41.186 CG :: 26.300 CD1 :: 25.360 CD2 :: 22.120 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 :: 9.403 HA :: 4.561 HB2 :: 1.755 HB3 :: 1.485 HG :: 1.796 HD1 :: 0.660 HD2 :: 0.510 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 :: 120.276 Ave N Shift Values>> N :: 121.98(4.07) F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 F 0.15 C 0.14 Y 0.13 C Shift Assignments>> C :: 177.605 CA :: 62.707 CB :: 39.078 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 :: 10.552 HA :: 4.302 HB2 :: 2.871 HB3 :: 3.131 HD1 :: 7.050 HE1 :: 7.380 HZ :: 7.080 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 :: 128.370 Ave N Shift Values>> N :: 120.69(4.18) G125 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 :: 176.147 CA :: 45.220 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.495 HA2 :: 4.375 HA3 :: 5.094 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.667 Ave N Shift Values>> N :: 109.91(4.29) H126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 V 0.16 W 0.13 R 0.09 K 0.09 E 0.08 M 0.07 H 0.05 I 0.03 Q 0.03 P 0.02 HN Overlap>> E112 Q157 C Shift Assignments>> C :: 175.524 CA :: 59.831 CB :: 31.947 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 :: 7.559 HA :: 3.985 HB2 :: 3.810 HB3 :: 1.874 HD2 :: 7.100 HE1 :: 8.720 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.818 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) W127 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.16 Q 0.14 K 0.13 L 0.13 C 0.11 H 0.11 W 0.08 E 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 175.151 CA :: 56.101 CB :: 27.765 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 :: 8.311 HA :: 4.085 HB2 :: 2.700 HB3 :: 3.169 HD1 :: 5.640(M) HE1 :: 5.000(M) HZ2 :: 6.850 HH2 :: 7.180 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 :: 115.930 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.31 C 0.12 L 0.08 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 175.172 CA :: 52.104 CB :: 40.144 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 :: 7.537 HA :: 4.980 HB2 :: 2.697 HB3 :: 2.805 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.799 Ave N Shift Values>> N :: 120.73(4.2) N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.28 E 0.12 Y 0.09 M 0.06 F 0.04 D 0.03 K 0.02 C Shift Assignments>> C :: 174.250 CA :: 53.979 CB :: 36.900 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 :: 7.686 HA :: 4.191 HB2 :: 2.969 HB3 :: 2.623 HD21 :: 7.537 HD22 :: 6.795 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 :: 113.206 ND2 :: 113.300 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.19 E 0.1 Q 0.09 I 0.06 R 0.02 M 0.01 C Shift Assignments>> C :: 173.531 CA :: 56.684 CB :: 26.250 CG :: 35.500 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 :: 7.268 HA :: 3.437 HB2 :: 1.950 HB3 :: 1.950 HG2 :: 2.010 HG3 :: 2.135 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 :: 111.984 Ave N Shift Values>> N :: 120.68(3.68) C131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 I 0.14 C 0.13 K 0.11 W 0.11 Q 0.1 E 0.08 H 0.07 L 0.05 C Shift Assignments>> C :: 174.814 CA :: 58.918 CB :: 27.816 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.900 HA :: 4.261 HB2 :: 3.285 HB3 :: 2.924 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.091 Ave N Shift Values>> N :: 119.95(4.79) E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 K 0.09 E 0.07 I 0.04 M 0.03 C Shift Assignments>> C :: 175.079 CA :: 56.321 CB :: 32.189 CG :: 39.400 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 :: 8.837 HA :: 4.535 HB2 :: 1.985 HB3 :: 2.150 HG2 :: 2.010 HG3 :: 2.625 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.438 Ave N Shift Values>> N :: 120.68(3.68) I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.46 A 0.04 C Shift Assignments>> C :: 173.386 CA :: 57.686 CB :: 38.000 CG1 :: 27.600 CG2 :: 17.750 CD1 :: 12.700 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 :: 7.734 HA :: 4.590 HB :: 1.934 HG2 :: 0.960 HG12 :: 1.880 HG13 :: 1.450 HD1 :: 0.984 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.378 Ave N Shift Values>> N :: 121.6(4.72) P134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 62.400 CB :: 32.560 CG :: 26.800 CD :: 50.830 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 :: 4.330 HB2 :: 1.790 HB3 :: 2.140 HG2 :: 1.750 HG3 :: 1.930 HD2 :: 3.880 HD3 :: 3.490 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) D135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 C 0.14 R 0.09 G 0.08 N 0.07 K 0.05 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.400 CB :: 42.600 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 :: 8.500 HA :: 4.365 HB2 :: 2.710 HB3 :: 3.060 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 :: 118.130 Ave N Shift Values>> N :: 120.73(4.2) P136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> C :: 172.793 CA :: 62.642 CB :: 30.721 CG :: 26.600 CD :: 49.200 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 :: 4.140 HB2 :: 0.060(S) HB3 :: 1.050 HG2 :: 1.510 HG3 :: 1.795 HD2 :: 4.190 HD3 :: 4.360 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) Y137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 Y 0.24 C 0.21 F 0.2 E 0.05 C Shift Assignments>> C :: 176.559 CA :: 59.683 CB :: 38.315 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 :: 7.493 HA :: 4.346 HB2 :: 2.799 HB3 :: 3.386 HD1 :: 7.200 HE1 :: 6.920 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.617 Ave N Shift Values>> N :: 120.79(4.69) R138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 L 0.26 R 0.19 G 0.13 K 0.06 C Shift Assignments>> C :: 176.104 CA :: 58.618 CB :: 27.200 CG :: 26.800 CD :: 43.600 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 :: 8.958 HA :: 3.655 HB2 :: 1.890 HB3 :: 1.890 HG2 :: 0.801 HG3 :: 0.390(S) HD2 :: 2.865 HD3 :: 2.865 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.909 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.3 R 0.25 G 0.02 M 0.01 C Shift Assignments>> C :: 175.698 CA :: 54.604 CB :: 32.587 CG :: 25.230 CD :: 28.500 CE :: 42.500 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 :: 8.523 HA :: 4.760 HB2 :: 2.080 HB3 :: 2.080 HG2 :: 1.260 HG3 :: 1.395 HD2 :: 1.640 HD3 :: 1.700 HE2 :: 3.070 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 :: 119.471 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 175.614 CA :: 57.791 CB :: 65.613 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.156 HA :: 4.512 HB2 :: 4.500 HB3 :: 4.206 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 :: 112.976 Ave N Shift Values>> N :: 116.3(3.95) R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.41 K 0.08 G 0.07 C Shift Assignments>> C :: 178.091 CA :: 60.761 CB :: 29.302 CG :: 28.400 CD :: 42.900 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 :: 9.228 HA :: 3.950 HB2 :: 1.929 HB3 :: 1.770 HG2 :: 1.350 HG3 :: 1.350 HD2 :: 3.170 HD3 :: 3.170 HE :: 7.340 HH11 :: 6.660 HH21 :: 6.960 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 :: 123.066 NE :: 115.550 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.32 E 0.19 K 0.02 C Shift Assignments>> C :: 179.687 CA :: 60.322 CB :: 28.461 CG :: 37.100 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 :: 9.041 HA :: 4.145 HB2 :: 2.155 HB3 :: 2.038 HG2 :: 2.360 HG3 :: 2.510 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.580 Ave N Shift Values>> N :: 120.68(3.68) T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.524 CA :: 67.100 CB :: 67.600 CG2 :: 21.140 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 :: 8.099 HA :: 4.130 HB :: 4.538 HG2 :: 1.085 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.408 Ave N Shift Values>> N :: 115.7(5.05) F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 F 0.13 C 0.13 Y 0.09 C Shift Assignments>> C :: 179.533 CA :: 63.703 CB :: 39.913 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 :: 8.018 HA :: 3.871 HB2 :: 2.900 HB3 :: 3.400 HD1 :: 7.370 HE1 :: 7.370 HZ :: 7.400 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 :: 121.082 Ave N Shift Values>> N :: 120.69(4.18) A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.05 C 0.03 C Shift Assignments>> C :: 179.254 CA :: 55.583 CB :: 17.954 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.036 HA :: 4.287 HB :: 1.635 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.757 Ave N Shift Values>> N :: 123.23(3.7) A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 181.350 CA :: 55.200 CB :: 17.980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.089 HA :: 4.280 HB :: 1.635 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.744 Ave N Shift Values>> N :: 123.23(3.7) V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> E165 C Shift Assignments>> C :: 177.234 CA :: 67.303 CB :: 31.886 CG1 :: 21.200 CG2 :: 24.600 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 :: 8.416 HA :: 3.598 HB :: 2.084 HG1 :: 0.935 HG2 :: 0.980 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.528 Ave N Shift Values>> N :: 121.02(4.96) Y148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.13 F 0.08 Y 0.07 C Shift Assignments>> C :: 176.575 CA :: 63.856 CB :: 38.410 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 :: 8.570 HA :: 3.655 HB2 :: 2.975 HB3 :: 3.293 HD1 :: 6.750 HE1 :: 6.225 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.323 Ave N Shift Values>> N :: 120.79(4.69) T149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> L162 C Shift Assignments>> C :: 177.139 CA :: 67.223 CB :: 68.971 CG2 :: 21.950 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 :: 8.089 HA :: 3.875 HB :: 4.373 HG2 :: 1.346 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 :: 115.473 Ave N Shift Values>> N :: 115.7(5.05) L150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.33 R 0.09 G 0.06 HN Overlap>> L50 C Shift Assignments>> C :: 180.043 CA :: 58.302 CB :: 43.002 CG :: 26.300 CD1 :: 26.000 CD2 :: 22.900 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 :: 7.542 HA :: 4.090 HB2 :: 1.538 HB3 :: 2.146 HG :: 1.965 HD1 :: 1.040 HD2 :: 0.970 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 :: 120.901 Ave N Shift Values>> N :: 121.98(4.07) L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.31 K 0.14 L 0.13 G 0.01 C Shift Assignments>> C :: 178.259 CA :: 58.030 CB :: 42.200 CG :: 28.200 CD1 :: 28.200 CD2 :: 25.070 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 :: 8.725 HA :: 4.084 HB2 :: 1.854 HB3 :: 0.824 HG :: 1.930 HD1 :: 0.766 HD2 :: 0.710 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.140 Ave N Shift Values>> N :: 121.98(4.07) E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.31 E 0.22 K 0.02 C Shift Assignments>> C :: 177.694 CA :: 60.751 CB :: 29.181 CG :: 36.900 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 :: 9.047 HA :: 3.829 HB2 :: 1.630 HB3 :: 1.994 HG2 :: 2.297 HG3 :: 2.420 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 :: 121.654 Ave N Shift Values>> N :: 120.68(3.68) R153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.38 G 0.12 K 0.04 C Shift Assignments>> C :: 179.352 CA :: 59.650 CB :: 30.522 CG :: 26.900 CD :: 43.600 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 :: 7.728 HA :: 4.005 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 1.510 HG3 :: 1.720 HD2 :: 3.280 HD3 :: 3.165 HE :: 7.690 HH11 :: 6.720 HH21 :: 6.720 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.274 NE :: 114.850 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> S71 C Shift Assignments>> C :: 175.941 CA :: 63.615 CB :: 63.600 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.862 HA :: 4.500 HB2 :: 3.915 HB3 :: 3.610 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 :: 116.129 Ave N Shift Values>> N :: 116.3(3.95) A155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.29 C 0.06 V 0.03 I 0.02 L 0.02 T 0.01 C Shift Assignments>> C :: 179.073 CA :: 55.730 CB :: 19.590 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.153 HA :: 4.108 HB :: 1.755 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.252 Ave N Shift Values>> N :: 123.23(3.7) R156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.06 C Shift Assignments>> C :: 179.342 CA :: 59.741 CB :: 29.999 CG :: 27.900 CD :: 43.500 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 :: 7.961 HA :: 3.501 HB2 :: 1.764 HB3 :: 1.867 HG2 :: 1.582 HG3 :: 1.125 HD2 :: 3.040 HD3 :: 3.040 HE :: 7.300 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 :: 117.755 NE :: 115.000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.24 Q 0.22 R 0.12 E 0.06 M 0.02 I 0.01 HN Overlap>> E112 H126 C Shift Assignments>> C :: 180.204 CA :: 58.788 CB :: 28.123 CG :: 33.300 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 :: 7.608 HA :: 3.885 HB2 :: 2.390 HB3 :: 1.563 HG2 :: 2.258 HG3 :: 2.574 HE21 :: 6.998 HE22 :: 6.149 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 :: 118.811 NE2 :: 107.914 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.15 W 0.13 V 0.08 P 0.06 E 0.06 R 0.04 K 0.04 H 0.03 Q 0.03 C Shift Assignments>> C :: 178.178 CA :: 61.670 CB :: 29.301 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 :: 8.823 HA :: 4.257 HB2 :: 3.080 HB3 :: 3.150 HD1 :: 6.980 HE1 :: 9.760 HZ2 :: 7.310 HZ3 :: 7.100 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.652 NE1 :: 128.700 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.25 I 0.06 C 0.04 V 0.01 C Shift Assignments>> C :: 179.601 CA :: 55.943 CB :: 18.557 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.733 HA :: 4.018 HB :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.549 Ave N Shift Values>> N :: 123.23(3.7) Q160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.25 Q 0.24 R 0.09 E 0.08 M 0.03 I 0.01 HN Overlap>> N95 C Shift Assignments>> C :: 178.407 CA :: 58.137 CB :: 28.398 CG :: 33.500 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 :: 7.451 HA :: 4.124 HB2 :: 1.960 HB3 :: 2.020 HG2 :: 2.370 HG3 :: 2.265 HE21 :: 7.331 HE22 :: 6.767 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 :: 115.895 NE2 :: 111.799 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 179.368 CA :: 54.571 CB :: 18.375 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.710 HA :: 3.860 HB :: 0.951 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.135 Ave N Shift Values>> N :: 123.23(3.7) L162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.29 R 0.08 A 0.04 HN Overlap>> T149 C Shift Assignments>> C :: 176.825 CA :: 55.312 CB :: 41.616 CG :: 27.200 CD1 :: 25.800 CD2 :: 22.700 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 :: 8.049 HA :: 4.464 HB2 :: 1.600 HB3 :: 1.535 HG :: 2.280 HD1 :: 0.773 HD2 :: 1.010 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 :: 115.380 Ave N Shift Values>> N :: 121.98(4.07) N163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.17 D 0.16 Y 0.1 F 0.07 L 0.03 E 0.02 C Shift Assignments>> C :: 175.154 CA :: 53.680 CB :: 38.543 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 :: 7.607 HA :: 4.793 HB2 :: 2.898 HB3 :: 2.987 HD21 :: 7.568 HD22 :: 6.863 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.193 ND2 :: 111.900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.22 C 0.02 L 0.01 C Shift Assignments>> C :: 177.438 CA :: 52.821 CB :: 19.475 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.047 HA :: 4.162 HB :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.480 Ave N Shift Values>> N :: 123.23(3.7) E165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.07 I 0.04 Q 0.04 HN Overlap>> V147 C Shift Assignments>> C :: 176.227 CA :: 56.553 CB :: 30.293 CG :: 36.300 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.325 HA :: 4.274 HB2 :: 1.951 HB3 :: 2.069 HG2 :: 2.270 HG3 :: 2.310 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.563 Ave N Shift Values>> N :: 120.68(3.68) Q166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.12 M 0.1 R 0.03 HN Overlap>> L110 C Shift Assignments>> C :: 174.836 CA :: 55.734 CB :: 29.677 CG :: 33.880 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 :: 8.298 HA :: 4.389 HB2 :: 1.951 HB3 :: 2.110 HG2 :: 2.324 HG3 :: 2.329 HE21 :: 7.561 HE22 :: 6.822 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.449 NE2 :: 112.925 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> C29 C Shift Assignments>> C :: 180.893 CA :: 63.655 CB :: 33.258 CG1 :: 20.300 CG2 :: 21.700 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 :: 7.779 HA :: 4.076 HB :: 2.090 HG1 :: 0.869 HG2 :: 0.895 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 :: 125.731 Ave N Shift Values>> N :: 121.02(4.96) ########################################################################### Overall Results: #Consistent: 157 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 20 Shift Relative Order (SRO) Results: #Consistent: 166 #Suspicious: 1 C Shift Results: #Consistent: 592 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 862 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 2 N Shift Results: #Consistent: 163 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: L26 HB3 = -0.430(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.7673e-08 R35 H = 10.401(S), Expected = 8.24, Std = 0.6000, ChiSquare = 3.1618e-04 P37 HB2 = 0.500(S), Expected = 2.05, Std = 0.3900, ChiSquare = 7.0569e-05 T68 HB = 2.738(S), Expected = 4.17, Std = 0.3700, ChiSquare = 1.0871e-04 L100 HD1 = -0.230(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1247e-04 E103 HB2 = 0.180(S), Expected = 2.04, Std = 0.2200, ChiSquare = 2.8018e-17 K104 H = 10.412(S), Expected = 8.22, Std = 0.6400, ChiSquare = 6.1480e-04 W127 HD1 = 5.640(M), Expected = 7.16, Std = 0.3400, ChiSquare = 7.8005e-06 W127 HE1 = 5.000(M), Expected = 10.13, Std = 0.5300, ChiSquare = 3.6943e-22 W127 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 P136 HB2 = 0.060(S), Expected = 2.05, Std = 0.3900, ChiSquare = 3.3508e-07 R138 HG3 = 0.390(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.0462e-05