G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 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 G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.049 CA :: 45.437 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.016 HA3 :: 4.016 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 G 0.01 HN Overlap>> V90 C Shift Assignments>> C :: 176.839 CA :: 56.308 CB :: 33.206 CG :: 24.688 CD :: 29.101 CE :: 42.241 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 :: 8.160 HA :: 4.388 HB2 :: 1.818 HB3 :: 1.818 HG2 :: 1.451 HG3 :: 1.451 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 3.023 HE3 :: 3.023 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.819 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.841 CA :: 61.646 CB :: 69.938 CG2 :: 21.679 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 :: 8.193 HA :: 4.304 HB :: 4.137 HG2 :: 1.139 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 :: 115.536 Ave N Shift Values>> N :: 115.7(5.05) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.17 N 0.16 C 0.12 K 0.07 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> CA :: 52.006 CB :: 41.483 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 :: 8.414 HA :: 4.885 HB2 :: 2.786 HB3 :: 2.593 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 :: 124.673 Ave N Shift Values>> N :: 120.73(4.2) P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.615 CA :: 64.122 CB :: 32.218 CG :: 27.241 CD :: 50.970 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 :: 4.395 HB2 :: 2.318 HB3 :: 1.984 HG2 :: 2.032 HG3 :: 2.032 HD2 :: 3.895 HD3 :: 3.876 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) R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.08 G 0.07 L 0.02 C Shift Assignments>> C :: 177.411 CA :: 56.975 CB :: 30.109 CG :: 27.095 CD :: 43.345 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 :: 8.388 HA :: 4.250 HB2 :: 1.887 HB3 :: 1.821 HG2 :: 1.647 HG3 :: 1.647 HD2 :: 3.220 HD3 :: 3.220 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 :: 118.953 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.684 CA :: 59.098 CB :: 63.771 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.074 HA :: 4.376 HB2 :: 3.898 HB3 :: 3.898 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.673 Ave N Shift Values>> N :: 116.3(3.95) M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.47 C 0.45 A 0.06 C Shift Assignments>> C :: 176.830 CA :: 56.795 CB :: 32.632 CG :: 32.281 CE :: 17.176 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.346 HB2 :: 2.070 HB3 :: 2.015 HG2 :: 2.628 HG3 :: 2.514 HE :: 2.036 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) N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.21 Y 0.11 D 0.1 F 0.07 E 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 173.268 CA :: 53.903 CB :: 37.955 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 :: 8.465 HA :: 4.711 HB2 :: 2.927 HB3 :: 2.800 HD21 :: 6.830 HD22 :: 7.463 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 :: 118.004 ND2 :: 111.530 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.286 CA :: 57.200 CB :: 63.569 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.573 HA :: 4.468 HB2 :: 3.879 HB3 :: 3.380 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.779 Ave N Shift Values>> N :: 116.3(3.95) R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.26 K 0.19 G 0.11 HN Overlap>> D81 C Shift Assignments>> C :: 174.489 CA :: 54.805 CB :: 33.369 CG :: 28.042 CD :: 43.545 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 :: 7.658 HA :: 5.236 HB2 :: 1.898 HB3 :: 1.839 HG2 :: 1.494 HG3 :: 1.438 HD2 :: 2.898 HD3 :: 2.898 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 :: 123.498 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 174.191 CA :: 61.796 CB :: 34.527 CG1 :: 22.774 CG2 :: 22.938 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.602 HA :: 4.510 HB :: 1.967 HG1 :: 1.073 HG2 :: 0.792 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 :: 125.316 Ave N Shift Values>> N :: 121.02(4.96) F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 172.653 CA :: 56.948 CB :: 40.808 CD1 :: 132.174 CD2 :: 132.174 CE1 :: 131.098 CE2 :: 131.098 CZ :: 129.334 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.221 HA :: 4.697 HB2 :: 3.000 HB3 :: 2.900 HD1 :: 6.870 HD2 :: 6.870 HE1 :: 6.828 HE2 :: 6.828 HZ :: 6.935 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 :: 127.504 Ave N Shift Values>> N :: 120.69(4.18) I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.37 C Shift Assignments>> C :: 173.362 CA :: 59.778 CB :: 38.727 CG1 :: 27.410 CG2 :: 20.375 CD1 :: 15.568 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 :: 8.286 HA :: 3.998 HB :: 1.353 HG2 :: 0.704 HG12 :: 0.465 HG13 :: 1.076 HD1 :: -0.130 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 :: 127.405 Ave N Shift Values>> N :: 121.6(4.72) G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 173.909 CA :: 44.182 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.485 HA2 :: 4.294 HA3 :: 3.725 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.224 Ave N Shift Values>> N :: 109.91(4.29) N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.19 D 0.13 Y 0.1 F 0.07 E 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 174.267 CA :: 53.705 CB :: 38.242 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 :: 8.782 HA :: 4.414 HB2 :: 3.819 HB3 :: 2.514 HD21 :: 8.371 HD22 :: 6.771 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.746 ND2 :: 112.302 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.26 C 0.16 A 0.07 R 0.04 C Shift Assignments>> C :: 176.505 CA :: 52.719 CB :: 44.587 CG :: 26.493 CD1 :: 27.089 CD2 :: 22.882 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 :: 7.341 HA :: 4.009 HB2 :: 1.289 HB3 :: 0.830 HG :: 0.971 HD1 :: 0.424 HD2 :: 0.727 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.639 Ave N Shift Values>> N :: 121.98(4.07) N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 N 0.28 M 0.12 E 0.05 K 0.03 Y 0.02 Q 0.02 P 0.02 F 0.01 C Shift Assignments>> C :: 175.924 CA :: 51.748 CB :: 35.712 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 :: 8.991 HA :: 4.819 HB2 :: 3.142 HB3 :: 2.485 HD21 :: 7.120 HD22 :: 7.973 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 :: 123.895 ND2 :: 110.123 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.08 C Shift Assignments>> C :: 175.113 CA :: 63.460 CB :: 67.536 CG2 :: 22.481 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 :: 8.235 HA :: 4.309 HB :: 4.644 HG2 :: 1.120 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.830 Ave N Shift Values>> N :: 115.7(5.05) L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.04 C Shift Assignments>> C :: 178.249 CA :: 57.297 CB :: 41.404 CG :: 27.353 CD1 :: 24.688 CD2 :: 23.417 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 :: 7.676 HA :: 4.322 HB2 :: 1.926 HB3 :: 1.615 HG :: 1.684 HD1 :: 0.946 HD2 :: 0.896 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.137 Ave N Shift Values>> N :: 121.98(4.07) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.24 C Shift Assignments>> C :: 175.284 CA :: 62.973 CB :: 35.060 CG1 :: 21.077 CG2 :: 21.077 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 :: 6.847 HA :: 4.074 HB :: 1.756 HG1 :: 0.867 HG2 :: 0.865 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.477 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>> V 0.8 C 0.19 C Shift Assignments>> C :: 174.430 CA :: 63.156 CB :: 32.016 CG1 :: 22.612 CG2 :: 21.478 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 :: 8.232 HA :: 3.888 HB :: 1.667 HG1 :: 0.864 HG2 :: 0.838 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 :: 121.704 Ave N Shift Values>> N :: 121.02(4.96) K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.38 R 0.08 M 0.01 C Shift Assignments>> C :: 178.045 CA :: 53.832 CB :: 34.395 CG :: 24.532 CD :: 28.475 CE :: 41.863 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 :: 8.923 HA :: 4.579 HB2 :: 2.068 HB3 :: 1.760 HG2 :: 1.508 HG3 :: 1.440 HD2 :: 1.664 HD3 :: 1.626 HE2 :: 2.956 HE3 :: 2.956 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 :: 124.399 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.45 K 0.37 R 0.13 G 0.02 M 0.01 C Shift Assignments>> C :: 177.803 CA :: 61.447 CB :: 32.365 CG :: 24.688 CD :: 29.932 CE :: 42.141 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 3.625 HB2 :: 1.852 HB3 :: 1.795 HG2 :: 1.275 HG3 :: 1.275 HD2 :: 1.687 HD3 :: 1.621 HE2 :: 3.014 HE3 :: 3.014 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) S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.685 CA :: 61.166 CB :: 61.667 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.526 HA :: 4.287 HB2 :: 3.908 HB3 :: 3.846 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.079 Ave N Shift Values>> N :: 116.3(3.95) D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.16 F 0.15 C 0.12 Y 0.11 R 0.1 D 0.08 I 0.02 C Shift Assignments>> C :: 178.291 CA :: 57.285 CB :: 41.693 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 :: 7.185 HA :: 4.530 HB2 :: 3.171 HB3 :: 2.674 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.323 Ave N Shift Values>> N :: 120.73(4.2) V33 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 :: 178.641 CA :: 67.279 CB :: 31.351 CG1 :: 22.787 CG2 :: 23.572 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.760 HA :: 3.504 HB :: 2.202 HG1 :: 0.602 HG2 :: 0.722 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 :: 119.968 Ave N Shift Values>> N :: 121.02(4.96) E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.33 E 0.16 C Shift Assignments>> C :: 178.692 CA :: 60.521 CB :: 29.532 CG :: 37.967 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 :: 8.619 HA :: 3.742 HB2 :: 2.091 HB3 :: 2.013 HG2 :: 2.486 HG3 :: 1.980 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 :: 119.016 Ave N Shift Values>> N :: 120.68(3.68) A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.05 C 0.03 C Shift Assignments>> C :: 180.409 CA :: 55.467 CB :: 18.108 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.830 HA :: 4.135 HB :: 1.583 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.328 Ave N Shift Values>> N :: 123.23(3.7) I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 178.615 CA :: 64.674 CB :: 39.704 CG1 :: 28.499 CG2 :: 16.749 CD1 :: 13.301 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 :: 7.671 HA :: 3.673 HB :: 1.701 HG2 :: 0.133 HG12 :: 0.949 HG13 :: 1.868 HD1 :: 0.764 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 :: 116.938 Ave N Shift Values>> N :: 121.6(4.72) F37 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> F 0.65 C 0.33 C Shift Assignments>> C :: 179.632 CA :: 62.913 CB :: 37.107 CD1 :: 132.134 CD2 :: 132.134 CE1 :: 130.328 CE2 :: 130.328 CZ :: 129.019 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 :: 8.520 HA :: 4.363 HB2 :: 3.774 HB3 :: 2.856 HD1 :: 7.964(M) HD2 :: 7.964 HE1 :: 6.934 HE2 :: 6.934 HZ :: 7.052 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.591 Ave N Shift Values>> N :: 120.69(4.18) S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.130 CA :: 61.427 CB :: 62.797 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.890 HA :: 4.821 HB2 :: 4.231 HB3 :: 4.117 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.621 Ave N Shift Values>> N :: 116.3(3.95) K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.2 M 0.04 C Shift Assignments>> C :: 177.138 CA :: 58.286 CB :: 31.610 CG :: 23.585 CD :: 28.938 CE :: 41.631 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.022 HA :: 3.966 HB2 :: 1.441 HB3 :: 1.255 HG2 :: 0.965 HG3 :: 0.818 HD2 :: 1.457 HD3 :: 1.457 HE2 :: 2.827 HE3 :: 2.768 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 :: 119.305 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 174.704 CA :: 59.024 CB :: 38.341 CD1 :: 132.735 CD2 :: 132.735 CE1 :: 119.378 CE2 :: 119.378 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 :: 6.951 HA :: 4.249 HB2 :: 3.329 HB3 :: 2.628 HD1 :: 7.145 HD2 :: 7.145 HE1 :: 6.653 HE2 :: 6.653 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.337 Ave N Shift Values>> N :: 120.79(4.69) G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.2 R 0.15 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.510 CA :: 44.535 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.413 HA2 :: 4.417 HA3 :: 3.886 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.468 Ave N Shift Values>> N :: 109.91(4.29) K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.18 M 0.03 C Shift Assignments>> C :: 176.488 CA :: 57.157 CB :: 32.995 CG :: 24.804 CD :: 29.387 CE :: 42.141 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.999 HA :: 4.203 HB2 :: 1.839 HB3 :: 1.778 HG2 :: 1.417 HG3 :: 1.246 HD2 :: 1.729 HD3 :: 1.729 HE2 :: 2.984 HE3 :: 2.984 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.907 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 177.112 CA :: 61.033 CB :: 38.716 CG1 :: 27.424 CG2 :: 17.867 CD1 :: 14.056 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 :: 8.643 HA :: 4.068 HB :: 1.721 HG2 :: 0.649 HG12 :: 1.805 HG13 :: 0.484 HD1 :: 0.746 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.941 Ave N Shift Values>> N :: 121.6(4.72) V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.232 CA :: 62.336 CB :: 32.230 CG1 :: 21.378 CG2 :: 20.490 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 :: 8.807 HA :: 4.141 HB :: 1.928 HG1 :: 0.820 HG2 :: 0.690 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.971 Ave N Shift Values>> N :: 121.02(4.96) G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 170.825 CA :: 45.551 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.241 HA2 :: 3.870 HA3 :: 4.155 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.873 Ave N Shift Values>> N :: 109.91(4.29) C46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.17 Q 0.16 H 0.13 E 0.13 R 0.13 C 0.13 I 0.05 L 0.04 M 0.02 C Shift Assignments>> C :: 172.497 CA :: 57.457 CB :: 28.610 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 5.123 HB2 :: 2.912 HB3 :: 2.629 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) S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.962 CA :: 57.041 CB :: 65.097 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.767 HA :: 4.712 HB2 :: 3.771 HB3 :: 3.710 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.143 Ave N Shift Values>> N :: 116.3(3.95) V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> N91 C Shift Assignments>> C :: 174.054 CA :: 62.172 CB :: 33.390 CG1 :: 22.481 CG2 :: 21.397 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 :: 8.496 HA :: 4.048 HB :: 1.867 HG1 :: 0.934 HG2 :: 0.681 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.381 Ave N Shift Values>> N :: 121.02(4.96) H49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 H 0.44 C Shift Assignments>> C :: 173.730 CA :: 54.410 CB :: 29.852 CD2 :: 125.139 CE1 :: 138.624 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 :: 8.399 HA :: 4.585 HB2 :: 2.709 HB3 :: 0.841(S) HD2 :: 6.338 HE1 :: 7.733 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 :: 129.100 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.26 M 0.02 C Shift Assignments>> C :: 175.660 CA :: 56.523 CB :: 30.744 CG :: 24.888 CD :: 29.302 CE :: 42.141 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.751 HA :: 4.414 HB2 :: 1.951 HB3 :: 1.779 HG2 :: 1.450 HG3 :: 1.330 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 2.990 HE3 :: 2.990 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 :: 121.605 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G51 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 :: 173.935 CA :: 45.591 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.574 HA2 :: 4.472 HA3 :: 4.394 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.231 Ave N Shift Values>> N :: 109.91(4.29) F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.46 C Shift Assignments>> C :: 171.671 CA :: 55.804 CB :: 40.924 CD1 :: 132.946 CD2 :: 132.946 CE1 :: 131.592 CE2 :: 131.592 CZ :: 129.922 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.100 HA :: 5.248 HB2 :: 3.352 HB3 :: 2.626 HD1 :: 6.748 HD2 :: 6.748 HE1 :: 7.181 HE2 :: 7.181 HZ :: 7.169 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.333 Ave N Shift Values>> N :: 120.69(4.18) A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.39 L 0.25 C 0.19 K 0.06 R 0.02 M 0.02 A 0.02 HN Overlap>> N83 C Shift Assignments>> C :: 173.746 CA :: 50.266 CB :: 24.476 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.732 HA :: 4.966 HB :: 1.138 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.001 Ave N Shift Values>> N :: 123.23(3.7) F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 G 0.33 C 0.28 C Shift Assignments>> C :: 175.993 CA :: 56.693 CB :: 44.120 CD1 :: 131.818 CD2 :: 131.818 CE1 :: 131.637 CE2 :: 131.637 CZ :: 129.922 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 :: 8.882 HA :: 5.825 HB2 :: 2.905 HB3 :: 2.865 HD1 :: 7.292 HD2 :: 7.292 HE1 :: 7.410 HE2 :: 7.410 HZ :: 7.333 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.362 Ave N Shift Values>> N :: 120.69(4.18) V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 172.893 CA :: 61.345 CB :: 35.518 CG1 :: 22.255 CG2 :: 22.260 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 :: 8.600 HA :: 4.336 HB :: 1.414 HG1 :: 0.422 HG2 :: 0.358 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.206 Ave N Shift Values>> N :: 121.02(4.96) Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 C 0.27 Q 0.22 K 0.1 E 0.07 R 0.01 C Shift Assignments>> C :: 174.242 CA :: 54.305 CB :: 31.041 CG :: 33.615 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 :: 8.753 HA :: 4.804 HB2 :: 1.885 HB3 :: 1.767 HG2 :: 2.277 HG3 :: 2.103 HE21 :: 7.603 HE22 :: 7.131 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 :: 127.147 NE2 :: 115.366 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.053 CA :: 58.257 CB :: 41.431 CD1 :: 132.574 CD2 :: 132.574 CE1 :: 117.790 CE2 :: 117.790 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 :: 8.662 HA :: 5.229 HB2 :: 3.672 HB3 :: 3.020 HD1 :: 6.999 HD2 :: 6.999 HE1 :: 6.619 HE2 :: 6.619 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 :: 126.093 Ave N Shift Values>> N :: 120.79(4.69) V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 175.814 CA :: 64.482 CB :: 32.650 CG1 :: 21.693 CG2 :: 22.145 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.320 HA :: 3.987 HB :: 2.231 HG1 :: 1.045 HG2 :: 1.083 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 :: 117.240 Ave N Shift Values>> N :: 121.02(4.96) N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.12 N 0.09 K 0.08 R 0.07 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.567 CA :: 52.118 CB :: 42.124 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 :: 7.354 HA :: 5.084 HB2 :: 3.030 HB3 :: 2.941 HD21 :: 7.717 HD22 :: 6.860 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.613 ND2 :: 114.170 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.1 K 0.07 M 0.07 Q 0.05 C Shift Assignments>> C :: 177.898 CA :: 58.667 CB :: 30.220 CG :: 36.022 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 :: 8.775 HA :: 4.164 HB2 :: 2.104 HB3 :: 1.913 HG2 :: 2.581 HG3 :: 2.176 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.072 Ave N Shift Values>> N :: 120.68(3.68) R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 G 0.09 K 0.07 L 0.02 C Shift Assignments>> C :: 179.341 CA :: 59.648 CB :: 29.408 CG :: 27.129 CD :: 43.345 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 :: 8.603 HA :: 3.968 HB2 :: 1.886 HB3 :: 1.767 HG2 :: 1.686 HG3 :: 1.606 HD2 :: 3.224 HD3 :: 3.224 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 :: 119.731 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.22 F 0.18 N 0.1 D 0.1 E 0.05 I 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 175.002 CA :: 56.191 CB :: 38.642 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 :: 7.843 HA :: 4.278 HB2 :: 2.465 HB3 :: 2.335 HD21 :: 7.873 HD22 :: 7.028 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 :: 118.405 ND2 :: 109.686 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.41 C 0.03 I 0.02 C Shift Assignments>> C :: 178.820 CA :: 55.012 CB :: 18.670 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.753 HA :: 3.700 HB :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.751 Ave N Shift Values>> N :: 123.23(3.7) R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.3 K 0.1 G 0.09 C Shift Assignments>> C :: 179.632 CA :: 60.122 CB :: 29.933 CG :: 29.803 CD :: 43.144 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 :: 8.603 HA :: 3.805 HB2 :: 1.945 HB3 :: 1.720 HG2 :: 1.818 HG3 :: 1.775 HD2 :: 3.130 HD3 :: 3.239 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.098 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 179.581 CA :: 54.931 CB :: 17.927 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 :: 4.102 HB :: 1.646 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.121 Ave N Shift Values>> N :: 123.23(3.7) A66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.53 M 0.38 C 0.03 L 0.01 C Shift Assignments>> C :: 179.205 CA :: 54.298 CB :: 19.321 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.534 HA :: 2.069(S) HB :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.768 Ave N Shift Values>> N :: 123.23(3.7) V67 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 :: 177.710 CA :: 66.421 CB :: 31.890 CG1 :: 22.953 CG2 :: 21.658 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 :: 7.599 HA :: 3.366 HB :: 2.081 HG1 :: 1.014 HG2 :: 0.956 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.439 Ave N Shift Values>> N :: 121.02(4.96) A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 180.820 CA :: 54.248 CB :: 18.217 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.513 HA :: 4.127 HB :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.917 Ave N Shift Values>> N :: 123.23(3.7) G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 175.668 CA :: 46.168 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.168 HA2 :: 3.986 HA3 :: 3.986 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.000 Ave N Shift Values>> N :: 109.91(4.29) E70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.28 M 0.24 E 0.2 Q 0.17 K 0.08 C Shift Assignments>> C :: 176.173 CA :: 55.014 CB :: 30.947 CG :: 34.819 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 :: 4.623 HB2 :: 1.593 HB3 :: 2.258 HG2 :: 2.078 HG3 :: 1.602(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.614 Ave N Shift Values>> N :: 120.68(3.68) D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.17 L 0.14 Y 0.13 C 0.13 D 0.08 R 0.06 I 0.03 C Shift Assignments>> C :: 178.624 CA :: 57.426 CB :: 41.387 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 :: 7.784 HA :: 4.290 HB2 :: 3.076 HB3 :: 2.594 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 :: 118.114 Ave N Shift Values>> N :: 120.73(4.2) G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.849 CA :: 45.745 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.324 HA2 :: 4.189 HA3 :: 3.665 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.348 Ave N Shift Values>> N :: 109.91(4.29) R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.11 K 0.09 C Shift Assignments>> C :: 175.019 CA :: 56.547 CB :: 31.110 CG :: 27.562 CD :: 43.783 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 :: 7.999 HA :: 4.178 HB2 :: 2.093 HB3 :: 1.838 HG2 :: 1.685 HG3 :: 1.512 HD2 :: 3.331 HD3 :: 3.150 HE :: 7.370 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 :: 121.950 NE :: 84.959 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.35 A 0.19 C Shift Assignments>> C :: 175.848 CA :: 54.971 CB :: 33.384 CG :: 32.010 CE :: 17.121 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 :: 8.653 HA :: 4.908 HB2 :: 2.027 HB3 :: 1.913 HG2 :: 2.297 HG3 :: 2.160 HE :: 1.977 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 :: 124.845 Ave N Shift Values>> N :: 120.1(3.88) I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.319 CA :: 59.989 CB :: 40.473 CG1 :: 27.358 CG2 :: 16.864 CD1 :: 12.482 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 :: 8.625 HA :: 4.390 HB :: 1.810 HG2 :: 0.875 HG12 :: 1.487 HG13 :: 1.143 HD1 :: 0.830 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.676 Ave N Shift Values>> N :: 121.6(4.72) A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.35 C 0.01 C Shift Assignments>> C :: 177.180 CA :: 52.925 CB :: 17.256 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.487 HA :: 4.052 HB :: 1.407 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.970 Ave N Shift Values>> N :: 123.23(3.7) G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.106 CA :: 45.781 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.449 HA2 :: 4.169 HA3 :: 3.705 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.873 Ave N Shift Values>> N :: 109.91(4.29) Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.33 E 0.14 Q 0.12 K 0.02 C Shift Assignments>> C :: 174.046 CA :: 54.284 CB :: 32.011 CG :: 34.739 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 :: 7.723 HA :: 4.770 HB2 :: 2.222 HB3 :: 2.034 HG2 :: 2.411 HG3 :: 2.266 HE21 :: 6.638 HE22 :: 6.993 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 :: 118.843 NE2 :: 110.076 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 176.608 CA :: 62.680 CB :: 32.017 CG1 :: 22.178 CG2 :: 21.137 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 :: 8.602 HA :: 4.049 HB :: 1.904 HG1 :: 0.957 HG2 :: 0.874 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.349 Ave N Shift Values>> N :: 121.02(4.96) L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 R 0.09 G 0.04 A 0.01 C Shift Assignments>> C :: 176.540 CA :: 56.017 CB :: 42.787 CG :: 26.603 CD1 :: 25.623 CD2 :: 23.335 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 :: 9.017 HA :: 4.398 HB2 :: 2.135 HB3 :: 1.325 HG :: 2.134 HD1 :: 1.002 HD2 :: 0.787 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 :: 128.799 Ave N Shift Values>> N :: 121.98(4.07) D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 C 0.11 R 0.1 K 0.09 N 0.06 F 0.03 Y 0.02 G 0.02 HN Overlap>> R17 C Shift Assignments>> C :: 174.780 CA :: 52.663 CB :: 42.348 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 :: 7.714 HA :: 5.080 HB2 :: 2.636 HB3 :: 2.515 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 :: 123.519 Ave N Shift Values>> N :: 120.73(4.2) I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 C Shift Assignments>> C :: 174.584 CA :: 59.398 CB :: 39.871 CG1 :: 28.031 CG2 :: 19.350 CD1 :: 15.295 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 :: 8.950 HA :: 5.331 HB :: 1.741 HG2 :: 0.949 HG12 :: 1.713 HG13 :: 1.146 HD1 :: 1.034 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 :: 124.760 Ave N Shift Values>> N :: 121.6(4.72) N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.21 R 0.14 C 0.12 G 0.07 K 0.06 N 0.04 F 0.03 Y 0.02 HN Overlap>> A53 C Shift Assignments>> C :: 174.165 CA :: 52.466 CB :: 42.922 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 :: 8.821 HA :: 4.941 HB2 :: 2.856 HB3 :: 2.856 HD21 :: 7.169 HD22 :: 6.742 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 :: 119.955 ND2 :: 113.971 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.3 R 0.11 G 0.01 C Shift Assignments>> C :: 178.718 CA :: 55.635 CB :: 41.983 CG :: 27.581 CD1 :: 25.290 CD2 :: 24.186 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 :: 9.070 HA :: 4.607 HB2 :: 1.768 HB3 :: 1.635 HG :: 1.780 HD1 :: 0.928 HD2 :: 0.825 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.139 Ave N Shift Values>> N :: 121.98(4.07) A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.35 C 0.02 C Shift Assignments>> C :: 177.283 CA :: 53.903 CB :: 18.939 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.019 HA :: 4.172 HB :: 1.473 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.637 Ave N Shift Values>> N :: 123.23(3.7) A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.16 C 0.03 L 0.01 C Shift Assignments>> C :: 176.882 CA :: 52.077 CB :: 19.894 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.041 HA :: 4.301 HB :: 1.337 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.010 Ave N Shift Values>> N :: 123.23(3.7) E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.29 M 0.14 K 0.09 Q 0.07 C Shift Assignments>> C :: 173.340 CA :: 53.811 CB :: 30.218 CG :: 35.902 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 :: 7.950 HA :: 4.540 HB2 :: 1.997 HB3 :: 1.855 HG2 :: 2.222 HG3 :: 2.156 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 :: 119.663 Ave N Shift Values>> N :: 120.68(3.68) P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.848 CA :: 62.999 CB :: 31.990 CG :: 27.311 CD :: 50.370 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 :: 4.283 HB2 :: 2.129 HB3 :: 1.787 HG2 :: 1.913 HG3 :: 1.866 HD2 :: 3.577 HD3 :: 3.532 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) K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 176.856 CA :: 56.575 CB :: 33.040 CG :: 25.124 CD :: 29.202 CE :: 42.241 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 :: 8.277 HA :: 4.231 HB2 :: 1.759 HB3 :: 1.681 HG2 :: 1.441 HG3 :: 1.371 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 3.014 HE3 :: 3.014 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 :: 121.463 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> K8 C Shift Assignments>> C :: 175.677 CA :: 62.147 CB :: 32.935 CG1 :: 20.486 CG2 :: 20.486 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 :: 8.089 HA :: 4.042 HB :: 1.998 HG1 :: 0.881 HG2 :: 0.881 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 :: 120.882 Ave N Shift Values>> N :: 121.02(4.96) N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.18 C 0.16 Y 0.08 F 0.06 L 0.03 E 0.01 HN Overlap>> V48 C Shift Assignments>> C :: 175.154 CA :: 53.170 CB :: 38.770 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 :: 8.498 HA :: 4.676 HB2 :: 2.816 HB3 :: 2.721 HD21 :: 7.579 HD22 :: 6.884 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.448 ND2 :: 112.825 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> CA :: 63.296 CB :: 32.071 CG :: 27.137 CD :: 49.811 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 :: 4.466 HB2 :: 2.289 HB3 :: 1.981 HG2 :: 2.005 HG3 :: 2.005 HD2 :: 3.609 HD3 :: 3.609 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) S96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 94 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 86 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 376 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 495 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 N Shift Results: #Consistent: 89 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: F37 HD1 = 7.964(M), Expected = 6.91, Std = 0.8200, ChiSquare = 1.9866e-01 H49 HB3 = 0.841(S), Expected = 3.11, Std = 0.4500, ChiSquare = 4.6016e-07 A66 HA = 2.069(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.8217e-07 E70 HG3 = 1.602(S), Expected = 2.31, Std = 0.2100, ChiSquare = 7.4779e-04