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: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.502 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.153 Ave N Shift Values>> N :: 109.91(4.29) 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: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.472 HB2 :: 3.902 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) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.16 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.758 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.195 HA2 :: 4.172 HA3 :: 4.076 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.514 Ave N Shift Values>> N :: 109.91(4.29) P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 177.179 CA :: 64.510 CB :: 31.940 CG :: 27.464 CD :: 49.723 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 :: 4.229 HB2 :: 1.885 HB3 :: 2.110 HG2 :: 2.068 HG3 :: 1.940 HD2 :: 3.599 HD3 :: 3.739 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) I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.499 CA :: 64.845 CB :: 37.980 CG1 :: 28.827 CG2 :: 17.891 CD1 :: 13.517 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 :: 7.647 HA :: 3.080 HB :: 1.506 HG2 :: 0.584 HG12 :: 1.189 HG13 :: 0.413 HD1 :: 0.736 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 :: 116.166 Ave N Shift Values>> N :: 121.6(4.72) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.17 F 0.13 C 0.12 K 0.11 Y 0.11 N 0.07 R 0.02 I 0.01 C Shift Assignments>> C :: 177.023 CA :: 55.397 CB :: 40.777 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 :: 7.755 HA :: 4.311 HB2 :: 2.647 HB3 :: 2.539 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.996 Ave N Shift Values>> N :: 120.73(4.2) L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.26 A 0.07 R 0.06 G 0.01 C Shift Assignments>> C :: 176.806 CA :: 55.183 CB :: 42.229 CG :: 26.516 CD1 :: 25.504 CD2 :: 22.222 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 :: 7.453 HA :: 4.131 HB2 :: 1.768 HB3 :: 1.362 HG :: 1.621 HD1 :: 0.801 HD2 :: 0.798 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 :: 117.356 Ave N Shift Values>> N :: 121.98(4.07) I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.129 CA :: 61.329 CB :: 36.573 CG1 :: 27.278 CG2 :: 19.231 CD1 :: 14.497 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 :: 7.091 HA :: 3.961 HB :: 1.746 HG2 :: 0.804 HG12 :: 0.628 HG13 :: 1.623 HD1 :: 0.621 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 :: 118.079 Ave N Shift Values>> N :: 121.6(4.72) T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 176.259 CA :: 59.916 CB :: 70.307 CG2 :: 22.224 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.166 HA :: 4.396 HB :: 4.235 HG2 :: 1.192 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.848 Ave N Shift Values>> N :: 115.7(5.05) V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> E53 C Shift Assignments>> C :: 177.228 CA :: 65.357 CB :: 31.527 CG1 :: 22.324 CG2 :: 21.072 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 :: 8.653 HA :: 3.466 HB :: 1.954 HG1 :: 0.989 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 :: 123.863 Ave N Shift Values>> N :: 121.02(4.96) G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.741 CA :: 44.355 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.663 HA2 :: 4.419 HA3 :: 3.595 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.956 Ave N Shift Values>> N :: 109.91(4.29) S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.675 CA :: 60.742 CB :: 64.239 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.924 HA :: 4.419 HB2 :: 3.866 HB3 :: 3.866 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 :: 116.911 Ave N Shift Values>> N :: 116.3(3.95) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 G 0.26 C 0.23 R 0.11 A 0.01 C Shift Assignments>> C :: 176.281 CA :: 53.777 CB :: 44.098 CG :: 27.186 CD1 :: 23.984 CD2 :: 26.805 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 :: 8.191 HA :: 5.546 HB2 :: 1.754 HB3 :: 1.159 HG :: 1.783 HD1 :: 0.789 HD2 :: 1.017 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 :: 121.282 Ave N Shift Values>> N :: 121.98(4.07) I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 I 0.29 G 0.23 C Shift Assignments>> C :: 174.426 CA :: 61.438 CB :: 43.330 CG1 :: 27.508 CG2 :: 19.617 CD1 :: 14.209 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 :: 8.794 HA :: 4.268 HB :: 1.348 HG2 :: 1.195 HG12 :: 1.434 HG13 :: 0.981 HD1 :: 0.610 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.095 Ave N Shift Values>> N :: 121.6(4.72) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.11 K 0.08 E 0.08 M 0.01 R 0.01 C Shift Assignments>> C :: 175.049 CA :: 57.088 CB :: 31.208 CG :: 39.570 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 :: 8.792 HA :: 4.802 HB2 :: 1.884 HB3 :: 1.884 HG2 :: 2.209 HG3 :: 2.017 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 :: 124.088 Ave N Shift Values>> N :: 120.68(3.68) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.29 L 0.11 C Shift Assignments>> C :: 176.367 CA :: 52.706 CB :: 46.411 CG :: 26.975 CD1 :: 25.205 CD2 :: 27.235 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 :: 8.939 HA :: 5.260 HB2 :: 1.063 HB3 :: 1.823 HG :: 1.500 HD1 :: 0.692 HD2 :: 0.761 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 :: 121.472 Ave N Shift Values>> N :: 121.98(4.07) Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 M 0.21 K 0.16 E 0.08 R 0.02 C Shift Assignments>> C :: 174.570 CA :: 56.480 CB :: 30.623 CG :: 33.264 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 :: 9.524 HA :: 3.049 HB2 :: 1.694 HB3 :: 1.905 HG2 :: 2.384 HG3 :: 1.777 HE21 :: 7.834 HE22 :: 6.870 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 :: 133.036 NE2 :: 112.813 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.26 C 0.11 K 0.1 D 0.09 F 0.05 Y 0.04 G 0.03 C Shift Assignments>> C :: 176.334 CA :: 55.657 CB :: 43.148 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 :: 8.908 HA :: 4.221 HB2 :: 3.400 HB3 :: 2.423 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 :: 131.355 Ave N Shift Values>> N :: 120.73(4.2) S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.781 CA :: 60.893 CB :: 63.441 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.610 HA :: 4.029 HB2 :: 3.848 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 :: 119.311 Ave N Shift Values>> N :: 116.3(3.95) Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.23 M 0.17 E 0.16 K 0.14 R 0.01 C Shift Assignments>> C :: 175.776 CA :: 56.251 CB :: 30.484 CG :: 34.222 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 :: 8.721 HA :: 4.465 HB2 :: 2.005 HB3 :: 2.122 HG2 :: 2.303 HG3 :: 2.378 HE21 :: 7.548 HE22 :: 6.842 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.742 NE2 :: 112.893 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.21 D 0.2 L 0.03 F 0.02 G 0.02 Y 0.02 C Shift Assignments>> C :: 172.534 CA :: 49.362 CB :: 39.664 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 :: 8.168 HA :: 5.041 HB2 :: 2.657 HB3 :: 2.850 HD21 :: 7.409 HD22 :: 7.056 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 :: 118.927 ND2 :: 111.924 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 175.629 CA :: 63.371 CB :: 31.783 CG :: 26.475 CD :: 50.485 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 :: 4.181 HB2 :: 2.005 HB3 :: 1.303 HG2 :: 1.747 HG3 :: 1.302 HD2 :: 3.674 HD3 :: 3.621 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) F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 HN Overlap>> F108 C Shift Assignments>> C :: 173.392 CA :: 55.220 CB :: 37.938 CD1 :: 131.641 CD2 :: 131.641 CE1 :: 131.431 CE2 :: 131.431 CZ :: 129.625 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 :: 7.480 HA :: 4.482 HB2 :: 3.399 HB3 :: 2.850 HD1 :: 6.999 HD2 :: 6.999 HE1 :: 7.399 HE2 :: 7.399 HZ :: 7.329 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 :: 116.722 Ave N Shift Values>> N :: 120.69(4.18) Q28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.43 C 0.31 Q 0.15 E 0.05 K 0.03 C Shift Assignments>> C :: 172.490 CA :: 53.718 CB :: 31.991 CG :: 33.636 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 :: 7.697 HA :: 5.917(S) HB2 :: 1.873 HB3 :: 2.016 HG2 :: 2.296 HG3 :: 2.561 HE21 :: 6.376 HE22 :: 6.159 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 :: 123.930 NE2 :: 110.604 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.27 Y 0.18 F 0.09 C Shift Assignments>> C :: 173.756 CA :: 57.132 CB :: 44.398 CD1 :: 133.013 CD2 :: 133.013 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 :: 9.225 HA :: 5.251 HB2 :: 3.081 HB3 :: 2.872 HD1 :: 7.045 HD2 :: 7.045 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.721 Ave N Shift Values>> N :: 120.79(4.69) W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 W 0.18 H 0.03 C Shift Assignments>> C :: 174.023 CA :: 54.402 CB :: 33.951 CD1 :: 127.912 CE3 :: 121.682 CZ2 :: 115.604 CZ3 :: 122.356 CH2 :: 125.586 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 :: 8.305 HA :: 5.345 HB2 :: 3.517 HB3 :: 3.124 HD1 :: 7.596 HE1 :: 11.021 HE3 :: 7.742 HZ2 :: 7.728 HZ3 :: 7.135 HH2 :: 7.520 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 :: 116.516 NE1 :: 130.523 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 174.594 CA :: 60.804 CB :: 39.671 CG1 :: 28.868 CG2 :: 19.344 CD1 :: 14.087 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 :: 5.930 HA :: 4.918 HB :: 1.052 HG2 :: 0.819 HG12 :: 1.316 HG13 :: 0.747 HD1 :: 0.602 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.050 Ave N Shift Values>> N :: 121.6(4.72) V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.12 A 0.04 I 0.02 C Shift Assignments>> C :: 173.651 CA :: 57.798 CB :: 35.552 CG1 :: 23.378 CG2 :: 20.318 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 :: 9.311 HA :: 5.276 HB :: 1.765 HG1 :: 0.607 HG2 :: 0.723 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 :: 118.997 Ave N Shift Values>> N :: 121.02(4.96) S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 175.056 CA :: 55.360 CB :: 66.510 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.120 HA :: 5.532 HB2 :: 3.612 HB3 :: 3.543 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.644 Ave N Shift Values>> N :: 116.3(3.95) V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 176.127 CA :: 62.993 CB :: 32.056 CG1 :: 21.985 CG2 :: 21.999 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 :: 8.393 HA :: 4.003 HB :: 2.186 HG1 :: 0.662 HG2 :: 0.807 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 :: 121.640 Ave N Shift Values>> N :: 121.02(4.96) I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.11 C Shift Assignments>> C :: 176.024 CA :: 59.966 CB :: 36.808 CG1 :: 27.309 CG2 :: 17.121 CD1 :: 7.916 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 :: 9.587 HA :: 4.080 HB :: 1.524 HG2 :: 0.876 HG12 :: 1.576 HG13 :: 1.009 HD1 :: 0.558 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.897 Ave N Shift Values>> N :: 121.6(4.72) E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 M 0.02 E 0.01 C Shift Assignments>> C :: 173.793 CA :: 55.387 CB :: 35.594 CG :: 37.304 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 :: 7.313 HA :: 4.467 HB2 :: 2.080 HB3 :: 1.758 HG2 :: 2.325 HG3 :: 2.091 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 :: 114.542 Ave N Shift Values>> N :: 120.68(3.68) N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.21 C 0.14 Y 0.05 F 0.04 L 0.03 C Shift Assignments>> C :: 174.676 CA :: 52.108 CB :: 39.158 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 :: 8.823 HA :: 5.033 HB2 :: 2.903 HB3 :: 2.161 HD21 :: 7.470 HD22 :: 6.101 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.554 ND2 :: 107.960 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 177.776 CA :: 60.875 CB :: 31.805 CG1 :: 21.325 CG2 :: 20.743 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 :: 9.136 HA :: 4.398 HB :: 2.310 HG1 :: 0.985 HG2 :: 1.137 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 :: 126.386 Ave N Shift Values>> N :: 121.02(4.96) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.22 L 0.03 A 0.02 P 0.02 C Shift Assignments>> C :: 174.643 CA :: 47.337 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.092 HA2 :: 3.981 HA3 :: 3.890 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.303 Ave N Shift Values>> N :: 109.91(4.29) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 172.427 CA :: 45.209 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.193 HA2 :: 4.354 HA3 :: 3.072 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.050 Ave N Shift Values>> N :: 109.91(4.29) R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.12 G 0.07 L 0.01 C Shift Assignments>> C :: 174.365 CA :: 56.982 CB :: 29.785 CG :: 28.400 CD :: 43.321 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 :: 7.966 HA :: 4.570 HB2 :: 2.060 HB3 :: 2.180 HG2 :: 1.722 HG3 :: 1.722 HD2 :: 3.152 HD3 :: 3.152 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 :: 121.730 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 0.21 A 0.18 G 0.09 R 0.06 C Shift Assignments>> C :: 174.829 CA :: 53.027 CB :: 42.991 CG :: 26.669 CD1 :: 22.223 CD2 :: 25.725 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 :: 9.298 HA :: 5.100 HB2 :: 2.032 HB3 :: 1.086 HG :: 1.892 HD1 :: 0.633 HD2 :: 0.799 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.797 Ave N Shift Values>> N :: 121.98(4.07) R43 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.42 C 0.34 G 0.18 K 0.04 C Shift Assignments>> C :: 174.845 CA :: 54.776 CB :: 31.088 CG :: 27.097 CD :: 43.997 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 :: 8.195 HA :: 3.936 HB2 :: 1.109 HB3 :: -0.179(M) HG2 :: 0.632(S) HG3 :: 0.130(S) HD2 :: 3.036 HD3 :: 2.564 HE :: 8.247 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 :: 125.171 NE :: 85.101 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.26 C 0.22 R 0.05 A 0.01 C Shift Assignments>> C :: 175.150 CA :: 53.371 CB :: 44.505 CG :: 25.519 CD1 :: 27.273 CD2 :: 24.247 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 :: 9.180 HA :: 5.149 HB2 :: 1.467 HB3 :: 0.893 HG :: 1.534 HD1 :: 0.796 HD2 :: 0.671 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 :: 128.302 Ave N Shift Values>> N :: 121.98(4.07) R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.18 G 0.17 R 0.1 C Shift Assignments>> C :: 176.610 CA :: 54.148 CB :: 34.536 CG :: 25.732 CD :: 43.531 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.648 HA :: 4.884 HB2 :: 1.645 HB3 :: 1.645 HG2 :: 1.651 HG3 :: 1.840 HD2 :: 2.834 HD3 :: 3.808 HE :: 6.493 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 :: 124.205 NE :: 69.813 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>> Y 0.57 C 0.42 C Shift Assignments>> C :: 177.093 CA :: 59.417 CB :: 38.211 CD1 :: 133.342 CD2 :: 133.342 CE1 :: 118.197 CE2 :: 118.197 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 :: 9.151 HA :: 4.891 HB2 :: 3.224 HB3 :: 2.930 HD1 :: 7.349 HD2 :: 7.349 HE1 :: 6.942 HE2 :: 6.942 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 :: 127.413 Ave N Shift Values>> N :: 120.79(4.69) V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 177.196 CA :: 63.953 CB :: 31.465 CG1 :: 22.216 CG2 :: 20.372 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 :: 9.053 HA :: 4.409 HB :: 2.096 HG1 :: 0.974 HG2 :: 0.867 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 :: 120.877 Ave N Shift Values>> N :: 121.02(4.96) G48 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 :: 174.683 CA :: 45.558 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.408 HA2 :: 4.865 HA3 :: 3.805 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.245 Ave N Shift Values>> N :: 109.91(4.29) L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.38 R 0.04 A 0.02 K 0.02 C Shift Assignments>> C :: 176.379 CA :: 53.597 CB :: 40.603 CG :: 27.509 CD1 :: 27.486 CD2 :: 23.901 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 :: 7.944 HA :: 4.755 HB2 :: 2.017 HB3 :: 2.116 HG :: 1.723 HD1 :: 1.130 HD2 :: 0.913 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 :: 120.922 Ave N Shift Values>> N :: 121.98(4.07) E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.31 E 0.15 K 0.01 C Shift Assignments>> C :: 176.820 CA :: 60.670 CB :: 28.930 CG :: 37.720 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 :: 8.739 HA :: 3.769 HB2 :: 2.006 HB3 :: 2.110 HG2 :: 2.337 HG3 :: 2.517 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.752 Ave N Shift Values>> N :: 120.68(3.68) D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.15 L 0.15 C 0.11 F 0.08 Y 0.07 K 0.07 R 0.01 C Shift Assignments>> C :: 175.465 CA :: 53.999 CB :: 40.683 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 :: 8.457 HA :: 4.597 HB2 :: 2.772 HB3 :: 2.772 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.854 Ave N Shift Values>> N :: 120.73(4.2) T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.942 CA :: 60.878 CB :: 70.114 CG2 :: 20.839 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 :: 8.112 HA :: 4.727 HB :: 4.286 HG2 :: 1.437 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.211 Ave N Shift Values>> N :: 115.7(5.05) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 M 0.2 Q 0.08 K 0.06 I 0.01 HN Overlap>> V14 C Shift Assignments>> C :: 179.187 CA :: 55.924 CB :: 31.016 CG :: 35.718 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 :: 8.725 HA :: 4.693 HB2 :: 1.995 HB3 :: 1.995 HG2 :: 2.229 HG3 :: 2.229 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 :: 123.895 Ave N Shift Values>> N :: 120.68(3.68) S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.494 CA :: 61.326 CB :: 63.167 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.094 HA :: 3.959 HB2 :: 3.567 HB3 :: 3.395 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 :: 115.194 Ave N Shift Values>> N :: 116.3(3.95) Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.46 C Shift Assignments>> C :: 176.932 CA :: 56.808 CB :: 38.363 CD1 :: 133.646 CD2 :: 133.646 CE1 :: 117.888 CE2 :: 117.888 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 :: 8.326 HA :: 4.866 HB2 :: 3.601 HB3 :: 2.870 HD1 :: 7.057 HD2 :: 7.057 HE1 :: 6.799 HE2 :: 6.799 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 :: 118.247 Ave N Shift Values>> N :: 120.79(4.69) D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.16 Y 0.15 C 0.15 L 0.12 N 0.1 K 0.04 I 0.01 C Shift Assignments>> C :: 175.515 CA :: 55.590 CB :: 40.076 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 :: 7.355 HA :: 4.781 HB2 :: 2.627 HB3 :: 1.991 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 :: 125.605 Ave N Shift Values>> N :: 120.73(4.2) Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.38 Q 0.07 E 0.01 C Shift Assignments>> C :: 173.620 CA :: 53.262 CB :: 32.869 CG :: 33.075 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 :: 8.441 HA :: 4.818 HB2 :: 2.230 HB3 :: 1.935 HG2 :: 2.047 HG3 :: 1.767 HE21 :: 7.523 HE22 :: 6.598 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 :: 117.030 NE2 :: 113.336 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.44 H 0.04 C Shift Assignments>> C :: 176.637 CA :: 56.143 CB :: 31.119 CD1 :: 127.338 CE3 :: 121.034 CZ2 :: 114.261 CZ3 :: 122.141 CH2 :: 124.420 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 :: 8.890 HA :: 5.963 HB2 :: 3.068 HB3 :: 2.838 HD1 :: 7.186 HE1 :: 10.190 HE3 :: 7.302 HZ2 :: 7.390 HZ3 :: 6.959 HH2 :: 7.136 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 :: 122.421 NE1 :: 128.633 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.29 L 0.12 C Shift Assignments>> C :: 175.751 CA :: 54.196 CB :: 47.016 CG :: 28.406 CD1 :: 25.978 CD2 :: 25.150 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 :: 9.054 HA :: 4.880 HB2 :: 1.713 HB3 :: 1.396 HG :: 1.622 HD1 :: 0.787 HD2 :: 0.969 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.769 Ave N Shift Values>> N :: 121.98(4.07) F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 178.248 CA :: 58.183 CB :: 40.183 CD1 :: 131.351 CD2 :: 131.351 CE1 :: 132.294 CE2 :: 132.294 CZ :: 130.586 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 :: 9.357 HA :: 5.145 HB2 :: 3.336 HB3 :: 2.994 HD1 :: 7.234 HD2 :: 7.234 HE1 :: 7.563 HE2 :: 7.563 HZ :: 7.616 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.505 Ave N Shift Values>> N :: 120.69(4.18) Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.42 HN Overlap>> D104 C Shift Assignments>> C :: 172.826 CA :: 60.347 CB :: 36.928 CD1 :: 132.849 CD2 :: 132.849 CE1 :: 118.358 CE2 :: 118.358 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 :: 8.154 HA :: 4.012 HB2 :: 2.886 HB3 :: 2.736 HD1 :: 6.449 HD2 :: 6.449 HE1 :: 6.636 HE2 :: 6.636 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 :: 122.124 Ave N Shift Values>> N :: 120.79(4.69) L62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> L 0.67 C 0.26 A 0.04 G 0.01 C Shift Assignments>> C :: 176.571 CA :: 53.471 CB :: 41.716 CG :: 25.250 CD1 :: 25.626 CD2 :: 23.412 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 :: 5.110(M) HA :: 3.986 HB2 :: 1.493 HB3 :: 1.186 HG :: 0.765 HD1 :: 0.107 HD2 :: 0.460 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) D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.27 C 0.13 G 0.11 F 0.04 D 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 177.716 CA :: 56.230 CB :: 43.833 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 :: 7.977 HA :: 4.270 HB2 :: 3.111 HB3 :: 2.580 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 :: 123.082 Ave N Shift Values>> N :: 120.73(4.2) Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 176.413 CA :: 59.467 CB :: 37.936 CD1 :: 133.119 CD2 :: 133.119 CE1 :: 118.315 CE2 :: 118.315 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 :: 8.283 HA :: 4.321 HB2 :: 3.141 HB3 :: 3.060 HD1 :: 7.121 HD2 :: 7.121 HE1 :: 6.859 HE2 :: 6.859 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 :: 126.353 Ave N Shift Values>> N :: 120.79(4.69) R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.32 G 0.22 K 0.02 C Shift Assignments>> C :: 176.298 CA :: 57.883 CB :: 32.035 CG :: 27.007 CD :: 44.353 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 :: 9.295 HA :: 3.884 HB2 :: 2.130 HB3 :: 1.454 HG2 :: 1.496 HG3 :: 1.496 HD2 :: 3.209 HD3 :: 3.093 HE :: 6.947 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 :: 118.593 NE :: 83.507 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.24 R 0.11 G 0.01 K 0.01 C Shift Assignments>> CA :: 54.121 CB :: 42.169 CG :: 27.002 CD1 :: 26.744 CD2 :: 24.230 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 :: 7.571 HA :: 5.183 HB2 :: 2.094 HB3 :: 1.264 HG :: 1.523 HD1 :: 0.935 HD2 :: 0.776 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 :: 118.328 Ave N Shift Values>> N :: 121.98(4.07) R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.32 G 0.12 R 0.08 C Shift Assignments>> CA :: 51.278 CB :: 33.707 CG :: 25.222 CD :: 42.563 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 :: 8.991 HA :: 4.138 HB2 :: 1.337 HB3 :: 1.017 HG2 :: 0.692 HG3 :: 0.692 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 :: 121.952 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 P 0.48 G 0.01 C Shift Assignments>> C :: 176.446 CA :: 61.203 CB :: 31.276 CG :: 26.942 CD :: 48.895 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 :: 4.370 HB2 :: 1.686 HB3 :: 1.878 HG2 :: 1.915 HG3 :: 1.494 HD2 :: 2.893 HD3 :: 2.393 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) V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.900 CA :: 64.583 CB :: 30.342 CG1 :: 21.877 CG2 :: 22.798 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 :: 8.739 HA :: 3.920 HB :: 1.933 HG1 :: 0.829 HG2 :: 0.931 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 :: 119.540 Ave N Shift Values>> N :: 121.02(4.96) G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.841 CA :: 44.839 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.941 HA2 :: 4.444 HA3 :: 3.658 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 121.229 Ave N Shift Values>> N :: 109.91(4.29) W71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> CA :: 60.775 CB :: 29.588 CZ2 :: 114.723 CZ3 :: 122.828 CH2 :: 125.002 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 :: 8.476 HA :: 4.026 HB2 :: 3.152 HB3 :: 3.257 HE1 :: 11.692 HE3 :: 7.069 HZ2 :: 7.574 HZ3 :: 7.074 HH2 :: 7.305 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 :: 127.192 NE1 :: 125.832 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) C72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 I 0.43 C 0.06 V 0.02 R 0.01 C Shift Assignments>> CA :: 63.628 CB :: 25.960 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.051 HA :: 3.496 HB2 :: 2.532 HB3 :: 3.030 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) Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.22 E 0.13 R 0.05 I 0.04 M 0.01 C Shift Assignments>> CA :: 58.634 CB :: 28.306 CG :: 34.201 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 :: 9.294 HA :: 4.077 HB2 :: 2.053 HB3 :: 1.955 HG2 :: 2.358 HG3 :: 2.358 HE21 :: 7.508 HE22 :: 6.736 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.204 NE2 :: 111.412 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.32 I 0.13 K 0.11 Q 0.06 M 0.02 C Shift Assignments>> CA :: 58.908 CB :: 29.241 CG :: 35.828 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 :: 8.065 HA :: 3.848 HB2 :: 1.935 HB3 :: 1.715 HG2 :: 2.052 HG3 :: 2.052 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 :: 121.131 Ave N Shift Values>> N :: 120.68(3.68) N75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.32 D 0.24 C 0.14 Y 0.09 F 0.08 L 0.06 C Shift Assignments>> CA :: 53.744 CB :: 39.373 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 :: 7.093 HA :: 3.999 HB2 :: 1.171(S) HB3 :: 1.430(S) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.249 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.36 K 0.13 L 0.07 G 0.01 C Shift Assignments>> CA :: 57.125 CB :: 28.245 CG :: 24.922 CD :: 28.980 CE :: 42.386 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 :: 7.473 HA :: 3.881 HB2 :: 1.945 HB3 :: 1.858 HG2 :: 1.224 HG3 :: 1.224 HD2 :: 1.655 HD3 :: 1.567 HE2 :: 2.945 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.744 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 174.474 CA :: 54.831 CB :: 38.154 CD1 :: 131.695 CD2 :: 131.695 CE1 :: 118.872 CE2 :: 118.872 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 :: 7.907 HA :: 5.192 HB2 :: 3.674 HB3 :: 3.332 HD1 :: 7.049 HD2 :: 7.049 HE1 :: 6.849 HE2 :: 6.849 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.774 Ave N Shift Values>> N :: 120.79(4.69) R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.34 G 0.13 K 0.11 HN Overlap>> H118 C Shift Assignments>> C :: 174.050 CA :: 55.731 CB :: 32.651 CG :: 27.521 CD :: 43.844 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 :: 8.187 HA :: 4.547 HB2 :: 1.967 HB3 :: 1.905 HG2 :: 1.732 HG3 :: 1.521 HD2 :: 3.077 HD3 :: 3.262 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 :: 120.105 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 M 0.33 C 0.26 C Shift Assignments>> C :: 175.394 CA :: 53.699 CB :: 32.914 CG :: 33.516 CE :: 17.930 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 :: 8.683 HA :: 5.785 HB2 :: 2.306 HB3 :: 2.187 HG2 :: 2.691 HG3 :: 2.691 HE :: 1.966 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 :: 128.349 Ave N Shift Values>> N :: 120.1(3.88) D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.11 C 0.09 R 0.02 D 0.01 C Shift Assignments>> C :: 172.704 CA :: 53.397 CB :: 45.448 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 :: 9.145 HA :: 5.082 HB2 :: 2.125 HB3 :: 2.291 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 :: 128.142 Ave N Shift Values>> N :: 120.73(4.2) P81 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 C Shift Assignments>> CA :: 60.077 CB :: 28.947 CG :: 24.339 CD :: 49.561 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 :: 3.245 HB2 :: 0.196(S) HB3 :: -0.361(M) HG2 :: -0.407(S) HG3 :: -1.348(M) HD2 :: 2.809 HD3 :: 2.167(S) 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) P82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 62.274 CB :: 32.493 CG :: 27.324 CD :: 49.164 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 :: 4.317 HB2 :: 2.424 HB3 :: 1.550 HG2 :: 1.812 HG3 :: 1.345 HD2 :: 3.133 HD3 :: 2.232(S) 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) S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.501 CA :: 61.989 CB :: 62.708 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.272 HA :: 3.878 HB2 :: 3.832 HB3 :: 3.832 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 :: 120.667 Ave N Shift Values>> N :: 116.3(3.95) E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.16 K 0.07 M 0.03 Q 0.03 C Shift Assignments>> C :: 176.704 CA :: 59.002 CB :: 29.682 CG :: 36.316 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 :: 8.948 HA :: 4.085 HB2 :: 2.060 HB3 :: 1.931 HG2 :: 2.336 HG3 :: 2.269 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 :: 118.167 Ave N Shift Values>> N :: 120.68(3.68) I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.079 CA :: 59.697 CB :: 39.020 CG1 :: 25.711 CG2 :: 17.207 CD1 :: 13.697 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.913 HA :: 4.344 HB :: 1.790 HG2 :: 0.250 HG12 :: 0.542 HG13 :: 0.741 HD1 :: 0.207 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 :: 108.985 Ave N Shift Values>> N :: 121.6(4.72) Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 173.336 CA :: 62.221 CB :: 36.854 CD1 :: 133.101 CD2 :: 133.101 CE1 :: 117.831 CE2 :: 117.831 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 :: 7.542 HA :: 3.779 HB2 :: 2.944 HB3 :: 2.495 HD1 :: 6.536 HD2 :: 6.536 HE1 :: 6.712 HE2 :: 6.712 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.175 Ave N Shift Values>> N :: 120.79(4.69) P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 177.155 CA :: 64.863 CB :: 31.455 CG :: 28.218 CD :: 51.034 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.600 HB2 :: 2.469 HB3 :: 1.780 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 4.047 HD3 :: 3.136 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) L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.33 R 0.18 A 0.02 G 0.01 C Shift Assignments>> C :: 177.233 CA :: 56.915 CB :: 42.232 CG :: 27.582 CD1 :: 25.752 CD2 :: 22.110 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 :: 8.178 HA :: 4.043 HB2 :: 1.963 HB3 :: 1.536 HG :: 1.769 HD1 :: 0.873 HD2 :: 0.924 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.760 Ave N Shift Values>> N :: 121.98(4.07) K89 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.08 G 0.02 C Shift Assignments>> C :: 174.679 CA :: 53.826 CB :: 34.860 CG :: 24.434 CD :: 28.080 CE :: 42.343 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 :: 7.571 HA :: 4.376 HB2 :: 1.110 HB3 :: -0.486(M) HG2 :: 0.776 HG3 :: 0.101(S) HD2 :: 0.174(M) HD3 :: 0.546(S) HE2 :: 2.278 HE3 :: 2.606 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 :: 114.393 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.38 A 0.15 C Shift Assignments>> C :: 178.139 CA :: 55.292 CB :: 34.093 CG :: 32.344 CE :: 16.987 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 :: 8.558 HA :: 4.445 HB2 :: 2.320 HB3 :: 1.916 HG2 :: 2.712 HG3 :: 2.610 HE :: 2.124 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.617 Ave N Shift Values>> N :: 120.1(3.88) A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 I 0.13 A 0.13 C 0.04 V 0.03 T 0.01 C Shift Assignments>> C :: 180.932 CA :: 56.923 CB :: 18.495 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.074 HA :: 4.320 HB :: 1.728 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.727 Ave N Shift Values>> N :: 123.23(3.7) S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.156 CA :: 61.100 CB :: 61.676 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.771 HA :: 4.238 HB2 :: 3.985 HB3 :: 3.985 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 :: 111.602 Ave N Shift Values>> N :: 116.3(3.95) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.21 K 0.03 M 0.02 C Shift Assignments>> C :: 180.358 CA :: 58.587 CB :: 29.878 CG :: 37.318 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 :: 7.265 HA :: 4.272 HB2 :: 2.242 HB3 :: 1.832 HG2 :: 2.170 HG3 :: 2.246 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.909 Ave N Shift Values>> N :: 120.68(3.68) W94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.39 H 0.02 C Shift Assignments>> C :: 178.847 CA :: 60.507 CB :: 29.840 CD1 :: 128.011 CE3 :: 120.944 CZ2 :: 115.095 CZ3 :: 120.829 CH2 :: 123.614 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 :: 8.133 HA :: 4.818 HB2 :: 3.414 HB3 :: 3.335 HD1 :: 6.303 HE1 :: 10.459 HE3 :: 7.699 HZ2 :: 7.512 HZ3 :: 7.787 HH2 :: 6.616 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.769 NE1 :: 131.522 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.01 G 0.01 C Shift Assignments>> C :: 178.593 CA :: 59.850 CB :: 32.398 CG :: 24.935 CD :: 29.403 CE :: 42.323 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 :: 7.983 HA :: 4.374 HB2 :: 2.129 HG2 :: 1.690 HG3 :: 1.606 HD2 :: 1.840 HD3 :: 1.840 HE2 :: 3.121 HE3 :: 3.121 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.449 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 I 0.4 C 0.07 R 0.02 W 0.02 HN Overlap>> K100 C Shift Assignments>> C :: 177.769 CA :: 62.799 CB :: 26.775 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.843 HA :: 4.363 HB2 :: 3.167 HB3 :: 3.126 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 :: 118.134 Ave N Shift Values>> N :: 119.95(4.79) T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> S126 C Shift Assignments>> C :: 176.951 CA :: 67.260 CB :: 69.052 CG2 :: 22.339 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 :: 8.430 HA :: 4.069 HB :: 4.703 HG2 :: 1.512 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 :: 117.917 Ave N Shift Values>> N :: 115.7(5.05) L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.39 R 0.09 C Shift Assignments>> C :: 177.904 CA :: 58.592 CB :: 41.486 CG :: 27.215 CD1 :: 25.954 CD2 :: 23.037 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 :: 8.665 HA :: 3.842 HB2 :: 2.314 HB3 :: 2.006 HG :: 1.570 HD1 :: 1.046 HD2 :: 0.600 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.846 Ave N Shift Values>> N :: 121.98(4.07) E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.28 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.597 CA :: 59.936 CB :: 29.442 CG :: 36.640 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 :: 8.212 HA :: 3.913 HB2 :: 2.118 HB3 :: 2.207 HG2 :: 2.329 HG3 :: 2.576 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 :: 117.335 Ave N Shift Values>> N :: 120.68(3.68) K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 G 0.01 M 0.01 HN Overlap>> C96 C Shift Assignments>> C :: 178.886 CA :: 59.485 CB :: 32.565 CG :: 25.050 CD :: 29.137 CE :: 42.383 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 :: 7.907 HA :: 4.100 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 1.627 HG3 :: 1.538 HD2 :: 1.756 HE2 :: 3.051 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.066 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.449 CA :: 62.870 CB :: 63.329 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.142 HA :: 4.298 HB2 :: 4.008 HB3 :: 3.777 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 :: 116.408 Ave N Shift Values>> N :: 116.3(3.95) L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.41 R 0.04 A 0.01 C Shift Assignments>> C :: 180.594 CA :: 57.828 CB :: 41.334 CG :: 26.519 CD1 :: 25.757 CD2 :: 22.202 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 :: 8.187 HA :: 4.002 HB2 :: 1.897 HB3 :: 1.368 HG :: 1.772 HD1 :: 0.835 HD2 :: 0.683 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 :: 120.498 Ave N Shift Values>> N :: 121.98(4.07) I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.930 CA :: 64.545 CB :: 37.862 CG1 :: 28.947 CG2 :: 17.251 CD1 :: 12.897 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 :: 7.378 HA :: 3.815 HB :: 2.102 HG2 :: 0.967 HG12 :: 1.751 HG13 :: 1.210 HD1 :: 0.897 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.278 Ave N Shift Values>> N :: 121.6(4.72) D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 L 0.09 D 0.08 K 0.07 I 0.06 N 0.01 HN Overlap>> Y61 C Shift Assignments>> C :: 179.088 CA :: 57.599 CB :: 40.292 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 :: 8.127 HA :: 4.443 HB2 :: 2.829 HB3 :: 2.778 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 :: 122.231 Ave N Shift Values>> N :: 120.73(4.2) A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.43 C 0.03 I 0.01 C Shift Assignments>> C :: 178.805 CA :: 54.549 CB :: 18.969 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.617 HA :: 4.170 HB :: 1.546 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.985 Ave N Shift Values>> N :: 123.23(3.7) A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.31 C 0.02 C Shift Assignments>> C :: 179.290 CA :: 53.362 CB :: 18.433 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.243 HA :: 4.176 HB :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.034 Ave N Shift Values>> N :: 123.23(3.7) K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 176.648 CA :: 58.252 CB :: 33.204 CG :: 25.273 CD :: 29.408 CE :: 42.256 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 :: 7.539 HA :: 3.957 HB2 :: 1.709 HB3 :: 1.398 HG2 :: 1.111 HG3 :: 1.427 HD2 :: 1.637 HD3 :: 1.637 HE2 :: 2.922 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 :: 117.769 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.45 HN Overlap>> F27 C Shift Assignments>> C :: 172.243 CA :: 54.836 CB :: 39.369 CD1 :: 132.896 CD2 :: 132.896 CE1 :: 131.045 CE2 :: 131.045 CZ :: 129.332 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 :: 7.531 HA :: 5.068 HB2 :: 3.210 HB3 :: 2.923 HD1 :: 7.358 HD2 :: 7.358 HE1 :: 7.342 HE2 :: 7.342 HZ :: 7.288 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 :: 116.694 Ave N Shift Values>> N :: 120.69(4.18) P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 178.130 CA :: 63.329 CB :: 32.138 CG :: 27.306 CD :: 49.996 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 :: 4.730 HB2 :: 2.315 HB3 :: 1.936 HG2 :: 2.013 HG3 :: 2.013 HD2 :: 3.496 HD3 :: 3.421 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) L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.23 R 0.13 G 0.05 C Shift Assignments>> C :: 175.594 CA :: 52.927 CB :: 42.663 CG :: 27.298 CD1 :: 26.496 CD2 :: 25.630 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 :: 8.482 HA :: 4.790 HB2 :: 1.911 HB3 :: 1.550 HG :: 1.942 HD1 :: 1.088 HD2 :: 1.113 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 :: 124.496 Ave N Shift Values>> N :: 121.98(4.07) P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.122 CA :: 63.005 CB :: 32.396 CG :: 28.258 CD :: 50.765 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 :: 4.541 HB2 :: 2.532 HB3 :: 2.019 HG2 :: 2.182 HG3 :: 2.122 HD2 :: 3.505 HD3 :: 4.120 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) M112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.47 A 0.03 C Shift Assignments>> C :: 178.557 CA :: 57.316 CB :: 31.762 CG :: 32.498 CE :: 17.022 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 :: 8.655 HA :: 4.474 HB2 :: 2.179 HB3 :: 2.146 HG2 :: 2.821 HG3 :: 2.769 HE :: 2.149 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.464 Ave N Shift Values>> N :: 120.1(3.88) E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.23 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 177.425 CA :: 59.221 CB :: 29.403 CG :: 36.759 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 :: 9.140 HA :: 4.074 HB2 :: 1.959 HB3 :: 2.037 HG2 :: 2.210 HG3 :: 2.290 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 :: 118.593 Ave N Shift Values>> N :: 120.68(3.68) V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 175.158 CA :: 65.039 CB :: 31.752 CG1 :: 21.152 CG2 :: 22.772 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 :: 7.548 HA :: 3.596 HB :: 1.785 HG1 :: 0.320 HG2 :: 0.712 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 :: 116.898 Ave N Shift Values>> N :: 121.02(4.96) F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 176.234 CA :: 57.564 CB :: 39.590 CD1 :: 132.219 CD2 :: 132.219 CE1 :: 131.022 CE2 :: 131.022 CZ :: 129.080 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 :: 7.463 HA :: 4.631 HB2 :: 3.282 HB3 :: 2.761 HD1 :: 7.149 HD2 :: 7.149 HE1 :: 7.074 HE2 :: 7.074 HZ :: 7.082 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.658 Ave N Shift Values>> N :: 120.69(4.18) K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.4 R 0.14 M 0.03 G 0.01 C Shift Assignments>> C :: 176.310 CA :: 57.425 CB :: 33.245 CG :: 24.368 CD :: 29.250 CE :: 42.168 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 :: 7.731 HA :: 4.240 HB2 :: 1.822 HB3 :: 1.822 HG2 :: 1.443 HG3 :: 1.443 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 3.016 HE3 :: 3.016 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 :: 121.077 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.08 R 0.03 C Shift Assignments>> C :: 176.234 CA :: 54.638 CB :: 41.098 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 :: 8.619 HA :: 4.681 HB2 :: 2.629 HB3 :: 2.792 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 :: 120.236 Ave N Shift Values>> N :: 120.73(4.2) H118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.35 C 0.29 HN Overlap>> R78 C Shift Assignments>> C :: 175.276 CA :: 56.722 CB :: 30.304 CD2 :: 119.762 CE1 :: 137.798 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 :: 8.175 HA :: 4.529 HB2 :: 3.191 HB3 :: 3.191 HD2 :: 7.155 HE1 :: 8.055 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 :: 120.169 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.24 C 0.03 L 0.01 C Shift Assignments>> C :: 177.522 CA :: 52.996 CB :: 19.484 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.316 HA :: 4.312 HB :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.002 Ave N Shift Values>> N :: 123.23(3.7) D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.11 C 0.11 N 0.1 F 0.09 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.459 CA :: 54.426 CB :: 41.046 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 :: 8.445 HA :: 4.677 HB2 :: 2.657 HB3 :: 2.803 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.009 Ave N Shift Values>> N :: 120.73(4.2) L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.08 A 0.02 G 0.01 C Shift Assignments>> C :: 177.603 CA :: 55.254 CB :: 42.186 CG :: 26.986 CD1 :: 25.267 CD2 :: 23.327 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 :: 8.191 HA :: 4.424 HB2 :: 1.682 HB3 :: 1.682 HG :: 1.654 HD1 :: 0.891 HD2 :: 0.831 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 :: 122.702 Ave N Shift Values>> N :: 121.98(4.07) S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.549 CA :: 58.604 CB :: 64.064 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.316 HA :: 4.552 HB2 :: 3.882 HB3 :: 3.737 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 :: 116.089 Ave N Shift Values>> N :: 116.3(3.95) G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 172.898 CA :: 44.993 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.455 HA2 :: 4.144 HA3 :: 4.144 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.948 Ave N Shift Values>> N :: 109.91(4.29) P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.452 CA :: 63.291 CB :: 32.229 CG :: 27.215 CD :: 49.831 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 :: 4.501 HB2 :: 2.309 HB3 :: 1.993 HG2 :: 2.025 HG3 :: 2.025 HD2 :: 3.632 HD3 :: 3.632 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) S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.743 CA :: 58.357 CB :: 63.899 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.523 HA :: 4.521 HB2 :: 3.928 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 :: 116.410 Ave N Shift Values>> N :: 116.3(3.95) S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T97 C Shift Assignments>> C :: 173.971 CA :: 58.410 CB :: 64.023 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.343 HA :: 4.506 HB2 :: 3.897 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 :: 117.926 Ave N Shift Values>> N :: 116.3(3.95) G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 179.066 CA :: 46.263 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.050 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.885 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 3 #Anomalous: 4 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 121 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 127 #Suspicious: 0 C Shift Results: #Consistent: 558 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 729 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 6 N Shift Results: #Consistent: 125 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: Q28 HA = 5.917(S), Expected = 4.28, Std = 0.4400, ChiSquare = 1.9886e-04 R43 HB3 = -0.179(M), Expected = 1.78, Std = 0.2800, ChiSquare = 2.6257e-12 R43 HG2 = 0.632(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.4624e-04 R43 HG3 = 0.130(S), Expected = 1.58, Std = 0.2700, ChiSquare = 7.8575e-08 L62 H = 5.110(M), Expected = 8.22, Std = 0.6500, ChiSquare = 1.7132e-06 N75 HB2 = 1.171(S), Expected = 2.80, Std = 0.3400, ChiSquare = 1.6581e-06 N75 HB3 = 1.430(S), Expected = 2.78, Std = 0.3400, ChiSquare = 7.1695e-05 P81 HB2 = 0.196(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.9958e-06 P81 HB3 = -0.361(M), Expected = 2.05, Std = 0.3900, ChiSquare = 6.3274e-10 P81 HG2 = -0.407(S), Expected = 1.93, Std = 0.3600, ChiSquare = 8.4892e-11 P81 HG3 = -1.348(M), Expected = 1.92, Std = 0.3700, ChiSquare = 1.0242e-18 P81 HD3 = 2.167(S), Expected = 3.63, Std = 0.4000, ChiSquare = 2.5469e-04 P82 HD3 = 2.232(S), Expected = 3.63, Std = 0.4000, ChiSquare = 4.7406e-04 K89 HB3 = -0.486(M), Expected = 1.78, Std = 0.2600, ChiSquare = 2.8977e-18 K89 HG3 = 0.101(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.2095e-05 K89 HD2 = 0.174(M), Expected = 1.61, Std = 0.2500, ChiSquare = 9.2466e-09 K89 HD3 = 0.546(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.0812e-05