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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.19 C 0.16 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.396 CA :: 53.262 CB :: 38.854 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.707 HB2 :: 2.842 HB3 :: 2.752 HD21 :: 6.916 HD22 :: 7.578 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 112.654 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 R 0.07 A 0.01 G 0.01 C Shift Assignments>> C :: 177.201 CA :: 55.497 CB :: 42.052 CG :: 27.029 CD1 :: 25.142 CD2 :: 23.579 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 :: 8.241 HA :: 4.333 HB2 :: 1.723 HB3 :: 1.612 HD1 :: 0.952 HD2 :: 0.884 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.841 Ave N Shift Values>> N :: 121.98(4.07) A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.02 C Shift Assignments>> C :: 177.359 CA :: 52.494 CB :: 19.155 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.164 HA :: 4.308 HB :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.321 Ave N Shift Values>> N :: 123.23(3.7) A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 177.573 CA :: 52.393 CB :: 19.320 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.077 HA :: 4.278 HB :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.086 Ave N Shift Values>> N :: 123.23(3.7) K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 176.456 CA :: 56.337 CB :: 32.974 CG :: 24.813 CD :: 29.254 CE :: 42.332 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 :: 8.211 HA :: 4.342 HB2 :: 1.793 HB3 :: 1.793 HG2 :: 1.492 HG3 :: 1.422 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 3.012 HE3 :: 3.012 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 :: 121.124 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V13 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 :: 175.922 CA :: 62.360 CB :: 32.882 CG1 :: 21.111 CG2 :: 21.111 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 :: 8.171 HA :: 4.115 HB :: 2.033 HG1 :: 0.933 HG2 :: 0.933 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 :: 122.629 Ave N Shift Values>> N :: 121.02(4.96) E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.13 K 0.07 Q 0.05 I 0.03 HN Overlap>> K72 C Shift Assignments>> C :: 176.275 CA :: 56.179 CB :: 30.465 CG :: 36.139 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 :: 8.577 HA :: 4.333 HB2 :: 1.895 HB3 :: 2.024 HG2 :: 2.213 HG3 :: 2.213 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.502 Ave N Shift Values>> N :: 120.68(3.68) L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 R 0.06 G 0.01 A 0.01 C Shift Assignments>> C :: 177.537 CA :: 55.597 CB :: 42.103 CG :: 26.992 CD1 :: 24.813 CD2 :: 23.655 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 :: 8.353 HA :: 4.328 HB2 :: 1.662 HB3 :: 1.556 HG :: 1.623 HD1 :: 0.939 HD2 :: 0.865 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 :: 124.008 Ave N Shift Values>> N :: 121.98(4.07) V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.494 CA :: 62.319 CB :: 32.604 CG1 :: 20.328 CG2 :: 21.318 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 :: 8.092 HA :: 4.133 HB :: 2.112 HG1 :: 0.933 HG2 :: 0.924 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 :: 119.897 Ave N Shift Values>> N :: 121.02(4.96) D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.2 K 0.15 C 0.1 F 0.08 Y 0.07 N 0.07 R 0.04 C Shift Assignments>> C :: 175.807 CA :: 54.595 CB :: 41.381 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 :: 8.342 HA :: 4.663 HB2 :: 2.790 HB3 :: 2.790 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.957 Ave N Shift Values>> N :: 120.73(4.2) I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 HN Overlap>> V129 C Shift Assignments>> C :: 175.399 CA :: 62.342 CB :: 39.055 CG1 :: 28.082 CG2 :: 17.686 CD1 :: 13.525 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 :: 7.923 HA :: 4.003 HB :: 1.846 HG2 :: 0.763 HG12 :: 1.689 HG13 :: 0.903 HD1 :: 0.833 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 :: 121.511 Ave N Shift Values>> N :: 121.6(4.72) Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 M 0.09 E 0.07 R 0.06 P 0.04 I 0.01 C Shift Assignments>> CB :: 29.443 CG :: 33.223 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 :: 8.904 HA :: 4.371 HB2 :: 1.863 HB3 :: 2.001 HG2 :: 2.182 HG3 :: 2.182 HE21 :: 7.354 HE22 :: 6.654 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 :: 127.523 NE2 :: 112.085 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.16 HN Overlap>> E107 C Shift Assignments>> C :: 172.364 CA :: 56.277 CB :: 32.924 CG :: 27.557 CD :: 41.316 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 :: 7.851 HA :: 4.258 HB2 :: 0.937 HB3 :: 1.537 HG2 :: 1.074 HG3 :: 0.550(S) HD2 :: 1.642(S) HD3 :: 1.540(S) HE :: 6.983 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 :: 118.044 NE :: 84.078 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 M 0.18 E 0.07 HN Overlap>> L24 C Shift Assignments>> C :: 175.855 CA :: 54.415 CB :: 34.268 CG :: 36.163 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 :: 8.463 HA :: 5.996(S) HB2 :: 2.025 HB3 :: 2.025 HG2 :: 2.133 HG3 :: 2.133 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 :: 124.354 Ave N Shift Values>> N :: 120.68(3.68) G22 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 :: 170.221 CA :: 45.826 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.035 HA2 :: 4.605 HA3 :: 4.281 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.198 Ave N Shift Values>> N :: 109.91(4.29) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 C Shift Assignments>> C :: 176.480 CA :: 51.443 CB :: 19.599 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.601 HA :: 5.312 HB :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.805 Ave N Shift Values>> N :: 123.23(3.7) L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.38 R 0.09 L 0.04 HN Overlap>> E21 C Shift Assignments>> C :: 175.987 CA :: 55.862 CB :: 45.657 CG :: 29.050 CD1 :: 27.833 CD2 :: 24.865 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 :: 4.905 HB2 :: 2.033 HB3 :: 1.230 HG :: 1.620 HD1 :: 0.332 HD2 :: 0.477 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 :: 124.276 Ave N Shift Values>> N :: 121.98(4.07) R25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 G 0.25 R 0.11 K 0.04 HN Overlap>> N104 H119 C Shift Assignments>> C :: 174.786 CA :: 55.584 CB :: 34.755 CG :: 26.852 CD :: 44.083 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 :: 8.254 HA :: 5.748(S) HB2 :: 1.706 HB3 :: 1.706 HG2 :: 1.693 HG3 :: 1.513 HD2 :: 2.743 HD3 :: 3.013 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.914 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.58 F 0.22 C 0.19 C Shift Assignments>> C :: 173.056 CA :: 55.439 CB :: 44.848 CD1 :: 132.106 CD2 :: 132.106 CE1 :: 130.698 CE2 :: 130.698 CZ :: 129.010 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 :: 9.609 HA :: 6.529(S) HB2 :: 3.273 HB3 :: 3.103 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 6.946 HE2 :: 6.946 HZ :: 6.918 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.676 Ave N Shift Values>> N :: 120.69(4.18) M27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.3 A 0.14 I 0.03 C Shift Assignments>> C :: 173.693 CA :: 54.646 CB :: 36.154 CG :: 30.427 CE :: 15.861 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.033 HA :: 4.165 HB2 :: 1.043 HB3 :: 1.152 HG2 :: 1.288 HG3 :: 1.433 HE :: 0.993 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.062 Ave N Shift Values>> N :: 120.1(3.88) V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.614 CA :: 61.192 CB :: 33.039 CG1 :: 21.064 CG2 :: 21.272 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 :: 8.226 HA :: 4.291 HB :: 1.753 HG1 :: 0.645 HG2 :: 0.640 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 :: 122.162 Ave N Shift Values>> N :: 121.02(4.96) A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> C :: 177.225 CA :: 52.817 CB :: 19.224 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.598 HA :: 4.087 HB :: 1.242 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.888 Ave N Shift Values>> N :: 123.23(3.7) D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.14 C 0.1 N 0.08 F 0.07 Y 0.06 R 0.04 C Shift Assignments>> C :: 176.059 CA :: 54.300 CB :: 41.381 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 :: 8.125 HA :: 4.493 HB2 :: 2.537 HB3 :: 2.614 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 :: 119.529 Ave N Shift Values>> N :: 120.73(4.2) D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.14 C 0.11 F 0.09 Y 0.07 N 0.07 R 0.03 C Shift Assignments>> C :: 176.708 CA :: 54.700 CB :: 41.199 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 :: 8.196 HA :: 4.514 HB2 :: 2.612 HB3 :: 2.673 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 :: 120.755 Ave N Shift Values>> N :: 120.73(4.2) A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.29 C 0.02 C Shift Assignments>> C :: 177.969 CA :: 53.435 CB :: 18.908 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.155 HA :: 4.145 HB :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.805 Ave N Shift Values>> N :: 123.23(3.7) A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> C :: 178.018 CA :: 52.804 CB :: 19.032 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.062 HA :: 4.275 HB :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.109 Ave N Shift Values>> N :: 123.23(3.7) S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.822 CA :: 58.562 CB :: 63.982 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.889 HA :: 4.441 HB2 :: 3.865 HB3 :: 3.865 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 :: 113.343 Ave N Shift Values>> N :: 116.3(3.95) G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.992 CA :: 44.709 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.113 HA2 :: 4.098 HA3 :: 4.062 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.355 Ave N Shift Values>> N :: 109.91(4.29) P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 63.782 CB :: 31.862 CD :: 49.646 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 :: 4.403 HB2 :: 1.953 HB3 :: 2.263 HG2 :: 2.024 HG3 :: 2.024 HD2 :: 3.623 HD3 :: 3.623 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) G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.966 CA :: 45.411 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.037 HA3 :: 3.969 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.461 CA :: 45.411 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.197 HA2 :: 4.037 HA3 :: 3.969 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.864 Ave N Shift Values>> N :: 109.91(4.29) T39 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 :: 174.202 CA :: 61.516 CB :: 70.171 CG2 :: 21.616 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 :: 7.875 HA :: 4.323 HB :: 4.185 HG2 :: 1.174 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.961 Ave N Shift Values>> N :: 115.7(5.05) A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 C Shift Assignments>> C :: 176.924 CA :: 52.481 CB :: 19.402 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.261 HA :: 4.216 HB :: 1.214 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.433 Ave N Shift Values>> N :: 123.23(3.7) Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 M 0.21 K 0.16 E 0.08 R 0.02 C Shift Assignments>> C :: 175.231 CA :: 54.433 CB :: 30.408 CG :: 33.705 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 :: 8.003 HA :: 4.443 HB2 :: 2.040 HB3 :: 1.805 HG2 :: 2.270 HG3 :: 2.270 HE21 :: 7.431 HE22 :: 6.833 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 :: 119.688 NE2 :: 112.663 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.48 C 0.47 H 0.03 C Shift Assignments>> C :: 177.309 CA :: 57.295 CB :: 31.652 CD1 :: 127.736 CE3 :: 119.178 CZ2 :: 114.553 CZ3 :: 122.097 CH2 :: 124.099 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 :: 8.070 HA :: 4.399 HB2 :: 2.989 HB3 :: 2.862 HD1 :: 7.198 HE1 :: 10.010 HE3 :: 7.033 HZ2 :: 7.287 HZ3 :: 6.839 HH2 :: 6.857 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 :: 122.409 NE1 :: 129.336 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.36 Q 0.11 E 0.09 K 0.01 C Shift Assignments>> C :: 175.903 CA :: 54.588 CB :: 32.650 CG :: 34.360 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 :: 9.061 HA :: 4.815 HB2 :: 1.983 HB3 :: 1.620 HG2 :: 2.148 HG3 :: 2.213 HE21 :: 7.318 HE22 :: 6.733 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.377 NE2 :: 111.901 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.35 R 0.25 M 0.01 C Shift Assignments>> C :: 176.227 CA :: 57.764 CB :: 32.981 CG :: 25.934 CD :: 29.540 CE :: 41.991 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 :: 8.771 HA :: 4.766 HB2 :: 1.873 HB3 :: 2.033 HG2 :: 1.466 HG3 :: 1.673 HD2 :: 1.766 HD3 :: 1.766 HE2 :: 3.005 HE3 :: 3.005 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.501 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.19 Q 0.19 K 0.17 H 0.05 R 0.05 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 173.225 CA :: 55.332 CB :: 33.475 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.224 HA :: 5.743 HB2 :: 2.899 HB3 :: 2.867 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.076 Ave N Shift Values>> N :: 119.95(4.79) R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.27 K 0.2 G 0.09 C Shift Assignments>> C :: 173.629 CA :: 55.157 CB :: 33.429 CG :: 27.717 CD :: 43.441 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 :: 8.883 HA :: 5.228 HB2 :: 1.936 HB3 :: 2.103 HG2 :: 1.280 HG3 :: 1.610 HD2 :: 3.212 HD3 :: 2.833 HE :: 7.183 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 :: 123.243 NE :: 83.034 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.56 A 0.18 C 0.13 L 0.1 C Shift Assignments>> C :: 174.341 CA :: 53.055 CB :: 45.310 CG :: 26.622 CD1 :: 21.670 CD2 :: 25.086 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 :: 9.211 HA :: 5.034 HB2 :: 0.430(S) HB3 :: 1.400 HG :: 0.733 HD1 :: -0.524(S) HD2 :: -0.665(S) 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 :: 131.015 Ave N Shift Values>> N :: 121.98(4.07) L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 G 0.3 L 0.11 C Shift Assignments>> C :: 174.441 CA :: 53.994 CB :: 47.083 CG :: 28.364 CD1 :: 25.381 CD2 :: 25.919 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 :: 9.148 HA :: 5.394 HB2 :: 1.658 HB3 :: 1.983 HG :: 1.663 HD1 :: 0.994 HD2 :: 1.038 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 :: 126.082 Ave N Shift Values>> N :: 121.98(4.07) L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 G 0.3 C 0.21 R 0.11 A 0.01 C Shift Assignments>> C :: 174.632 CA :: 53.848 CB :: 44.468 CG :: 28.102 CD1 :: 26.063 CD2 :: 23.838 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.273 HA :: 5.393 HB2 :: 2.080 HB3 :: 1.479 HG :: 1.463 HD1 :: 0.711 HD2 :: 0.951 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.191 Ave N Shift Values>> N :: 121.98(4.07) R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.21 G 0.18 K 0.11 C Shift Assignments>> C :: 174.666 CA :: 54.071 CB :: 33.796 CG :: 26.394 CD :: 43.648 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 :: 9.348 HA :: 5.378 HB2 :: 1.812 HB3 :: 1.812 HG2 :: 1.555 HG3 :: 1.555 HD2 :: 3.093 HD3 :: 3.193 HE :: 7.857 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 :: 125.207 NE :: 84.784 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.35 K 0.15 G 0.09 C Shift Assignments>> C :: 174.966 CA :: 56.079 CB :: 31.616 CG :: 28.012 CD :: 43.582 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 :: 8.832 HA :: 4.439 HB2 :: 1.612 HB3 :: 1.699 HG2 :: 1.463 HG3 :: 1.463 HD2 :: 3.113 HD3 :: 3.293 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.911 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.13 M 0.12 C 0.09 C Shift Assignments>> C :: 176.636 CA :: 50.992 CB :: 21.612 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.901 HA :: 4.517 HB :: 1.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.691 Ave N Shift Values>> N :: 123.23(3.7) V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.735 CA :: 61.814 CB :: 33.467 CG1 :: 19.613 CG2 :: 21.238 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 :: 7.729 HA :: 4.176 HB :: 2.187 HG1 :: 0.898 HG2 :: 0.927 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 :: 115.377 Ave N Shift Values>> N :: 121.02(4.96) A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 C 0.02 C Shift Assignments>> CA :: 53.225 CB :: 18.713 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.333 HA :: 4.218 HB :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.147 Ave N Shift Values>> N :: 123.23(3.7) G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.608 CA :: 45.569 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.046 HA2 :: 3.690 HA3 :: 4.135 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.13 K 0.05 I 0.04 Q 0.03 C Shift Assignments>> C :: 177.167 CA :: 56.515 CB :: 30.767 CG :: 36.422 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 :: 8.033 HA :: 4.330 HB2 :: 2.071 HB3 :: 2.001 HG2 :: 2.343 HG3 :: 2.253 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.929 Ave N Shift Values>> N :: 120.68(3.68) R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.09 K 0.09 C Shift Assignments>> C :: 176.637 CA :: 59.375 CB :: 30.560 CG :: 27.879 CD :: 43.483 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 :: 8.253 HA :: 3.912 HB2 :: 1.763 HB3 :: 2.126 HG2 :: 1.603 HG3 :: 1.473 HD2 :: 3.263 HD3 :: 3.263 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.648 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 G 0.33 C 0.3 C Shift Assignments>> C :: 175.291 CA :: 57.271 CB :: 44.079 CD1 :: 132.171 CD2 :: 132.171 CE1 :: 131.512 CE2 :: 131.512 CZ :: 130.371 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 :: 8.930 HA :: 5.411 HB2 :: 3.022 HB3 :: 2.769 HD1 :: 7.148 HD2 :: 7.148 HE1 :: 7.334 HE2 :: 7.334 HZ :: 7.344 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.545 Ave N Shift Values>> N :: 120.69(4.18) R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.16 K 0.15 R 0.11 HN Overlap>> Q117 C Shift Assignments>> C :: 173.393 CA :: 55.183 CB :: 34.878 CG :: 27.872 CD :: 43.651 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 :: 9.134 HA :: 5.033 HB2 :: 1.461 HB3 :: 1.572 HG2 :: 1.463 HG3 :: 1.463 HD2 :: 2.982 HD3 :: 2.982 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 :: 119.174 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.32 C 0.17 R 0.02 C Shift Assignments>> C :: 175.543 CA :: 53.160 CB :: 44.776 CG :: 26.852 CD1 :: 25.655 CD2 :: 26.129 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 :: 8.904 HA :: 5.406 HB2 :: 1.383 HB3 :: 1.521 HG :: 1.393 HD1 :: 0.795 HD2 :: 0.763 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 :: 123.464 Ave N Shift Values>> N :: 121.98(4.07) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.13 E 0.1 C Shift Assignments>> C :: 173.825 CA :: 55.040 CB :: 33.837 CG :: 37.186 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 :: 9.437 HA :: 5.117 HB2 :: 2.183 HB3 :: 1.564 HG2 :: 2.159 HG3 :: 2.100 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 :: 123.353 Ave N Shift Values>> N :: 120.68(3.68) F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.39 C Shift Assignments>> C :: 174.727 CA :: 55.445 CB :: 39.841 CD1 :: 131.725 CD2 :: 131.725 CE1 :: 129.924 CE2 :: 129.924 CZ :: 127.645 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 :: 8.624 HA :: 4.873 HB2 :: 2.876 HB3 :: 2.003 HD1 :: 6.325 HD2 :: 6.325 HE1 :: 6.331 HE2 :: 6.331 HZ :: 6.282 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 :: 120.884 Ave N Shift Values>> N :: 120.69(4.18) F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 174.011 CA :: 58.410 CB :: 39.405 CD1 :: 132.137 CD2 :: 132.137 CE1 :: 131.290 CE2 :: 131.290 CZ :: 129.336 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 :: 9.759 HA :: 4.513 HB2 :: 3.349 HB3 :: 2.933 HD1 :: 7.054 HD2 :: 7.054 HE1 :: 7.075 HE2 :: 7.075 HZ :: 7.265 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.570 Ave N Shift Values>> N :: 120.69(4.18) V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.27 C Shift Assignments>> C :: 174.845 CA :: 59.320 CB :: 36.132 CG1 :: 20.506 CG2 :: 21.225 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 :: 8.904 HA :: 4.315 HB :: 2.032 HG1 :: 1.138 HG2 :: 1.047 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 :: 125.520 Ave N Shift Values>> N :: 121.02(4.96) P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 C Shift Assignments>> CA :: 63.664 CB :: 32.495 CG :: 25.409 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 :: 5.277 HB2 :: 2.583 HB3 :: 2.583 HG2 :: 1.794 HG3 :: 2.108 HD2 :: 3.814 HD3 :: 3.642 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) P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.066 CA :: 66.477 CB :: 32.667 CG :: 27.977 CD :: 49.926 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 :: 4.295 HB2 :: 2.410 HB3 :: 1.965 HG2 :: 1.634 HG3 :: 2.244 HD2 :: 3.873 HD3 :: 3.803 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) K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.32 R 0.24 M 0.02 C Shift Assignments>> C :: 176.336 CA :: 55.739 CB :: 31.450 CG :: 25.202 CD :: 29.090 CE :: 42.003 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 :: 7.833 HA :: 4.302 HB2 :: 1.995 HB3 :: 1.763 HG2 :: 1.353 HG3 :: 1.424 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 3.011 HE3 :: 3.011 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 :: 112.009 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.22 C 0.04 L 0.04 C Shift Assignments>> C :: 177.143 CA :: 52.921 CB :: 20.333 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.131 HA :: 4.267 HB :: 1.729 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.515 Ave N Shift Values>> N :: 123.23(3.7) S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.727 CA :: 59.690 CB :: 63.881 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.464 HA :: 4.424 HB2 :: 4.013 HB3 :: 3.952 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 :: 121.380 Ave N Shift Values>> N :: 116.3(3.95) R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.33 G 0.15 K 0.08 C Shift Assignments>> C :: 173.346 CA :: 52.594 CB :: 31.758 CG :: 26.692 CD :: 43.326 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 :: 7.802 HA :: 5.002 HB2 :: 1.719 HB3 :: 1.858 HG2 :: 1.673 HG3 :: 1.673 HD2 :: 3.250 HD3 :: 3.250 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 :: 120.307 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 175.873 CA :: 62.875 CB :: 31.409 CG :: 25.882 CD :: 50.258 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 :: 3.559 HB2 :: 1.392 HB3 :: 0.636(S) HG2 :: 1.769 HG3 :: 1.623 HD2 :: 3.618 HD3 :: 3.618 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) K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.37 R 0.21 M 0.02 G 0.01 HN Overlap>> E14 C Shift Assignments>> C :: 176.359 CA :: 57.218 CB :: 33.937 CG :: 25.128 CD :: 29.336 CE :: 42.250 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 :: 8.664 HA :: 4.213 HB2 :: 2.233 HB3 :: 1.643 HG2 :: 1.591 HG3 :: 1.527 HD2 :: 1.803 HD3 :: 1.693 HE2 :: 3.093 HE3 :: 3.053 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 :: 125.455 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 174.005 CA :: 60.650 CB :: 35.272 CG1 :: 20.666 CG2 :: 20.267 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 :: 7.144 HA :: 4.184 HB :: 1.384 HG1 :: 0.461 HG2 :: 0.650 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 :: 115.496 Ave N Shift Values>> N :: 121.02(4.96) S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.820 CA :: 56.700 CB :: 63.486 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.503 HA :: 5.286 HB2 :: 3.458 HB3 :: 3.628 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 :: 122.081 Ave N Shift Values>> N :: 116.3(3.95) I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.39 A 0.06 G 0.02 C Shift Assignments>> CA :: 57.667 CB :: 42.118 CG1 :: 26.625 CG2 :: 17.520 CD1 :: 13.617 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 :: 9.393 HA :: 4.782 HB :: 1.839 HG2 :: 0.908 HG12 :: 1.377 HG13 :: 0.884 HD1 :: 0.374 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 :: 127.126 Ave N Shift Values>> N :: 121.6(4.72) P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.117 CA :: 62.400 CB :: 31.646 CG :: 27.270 CD :: 50.961 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 :: 4.853 HB2 :: 2.223 HB3 :: 2.223 HG2 :: 2.054 HG3 :: 2.233 HD2 :: 3.862 HD3 :: 3.862 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) L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.36 R 0.02 K 0.01 C Shift Assignments>> C :: 179.047 CA :: 57.254 CB :: 39.918 CG :: 28.682 CD1 :: 25.488 CD2 :: 24.244 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 :: 8.336 HA :: 3.963 HB2 :: 1.864 HB3 :: 1.864 HG :: 1.823 HD1 :: 0.912 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 :: 126.027 Ave N Shift Values>> N :: 121.98(4.07) S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.954 CA :: 60.180 CB :: 62.378 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.576 HA :: 4.277 HB2 :: 4.053 HB3 :: 4.053 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 :: 111.794 Ave N Shift Values>> N :: 116.3(3.95) A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.17 C 0.03 L 0.01 C Shift Assignments>> C :: 176.864 CA :: 52.250 CB :: 19.787 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.943 HA :: 4.532 HB :: 1.634 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.132 Ave N Shift Values>> N :: 123.23(3.7) I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 175.747 CA :: 61.866 CB :: 37.011 CG1 :: 28.329 CG2 :: 17.801 CD1 :: 13.882 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 :: 7.577 HA :: 4.194 HB :: 2.160 HG2 :: 0.820 HG12 :: 1.738 HG13 :: 1.067 HD1 :: 0.863 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 :: 118.510 Ave N Shift Values>> N :: 121.6(4.72) I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.492 CA :: 61.238 CB :: 39.055 CG1 :: 26.850 CG2 :: 17.946 CD1 :: 13.391 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 :: 8.858 HA :: 4.437 HB :: 1.916 HG2 :: 0.953 HG12 :: 0.974 HG13 :: 1.285 HD1 :: 0.845 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.713 Ave N Shift Values>> N :: 121.6(4.72) E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 M 0.13 E 0.12 C Shift Assignments>> C :: 173.381 CA :: 56.603 CB :: 34.084 CG :: 36.739 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 :: 7.632 HA :: 4.578 HB2 :: 2.018 HB3 :: 2.018 HG2 :: 2.257 HG3 :: 2.060 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 :: 119.612 Ave N Shift Values>> N :: 120.68(3.68) V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.786 CA :: 60.635 CB :: 32.927 CG1 :: 21.561 CG2 :: 21.075 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 :: 8.671 HA :: 5.090 HB :: 2.142 HG1 :: 0.963 HG2 :: 0.963 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 :: 124.992 Ave N Shift Values>> N :: 121.02(4.96) R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.22 K 0.21 R 0.2 M 0.02 E 0.01 C Shift Assignments>> C :: 176.006 CA :: 55.117 CB :: 32.922 CG :: 27.062 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 :: 9.293 HA :: 4.973 HB2 :: 1.779 HB3 :: 2.023 HG2 :: 1.593 HG3 :: 1.494 HD2 :: 3.313 HD3 :: 3.113 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 :: 124.626 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 62.324 CB :: 69.353 CG2 :: 22.048 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> HA :: 4.539 HB :: 4.400 HG2 :: 1.276 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) T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.304 CB :: 69.930 CG2 :: 21.804 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 :: 7.775 HA :: 4.514 HB :: 4.177 HG2 :: 1.172 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 :: 116.721 Ave N Shift Values>> N :: 115.7(5.05) M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 M 0.37 C 0.2 C Shift Assignments>> CA :: 52.918 CB :: 32.502 CG :: 32.482 CE :: 17.725 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 :: 8.713 HA :: 4.911 HB2 :: 2.161 HB3 :: 1.963 HG2 :: 2.545 HG3 :: 2.783 HE :: 2.070 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 :: 124.467 Ave N Shift Values>> N :: 120.1(3.88) P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 176.923 CA :: 63.949 CB :: 32.187 CG :: 27.645 CD :: 50.792 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 :: 4.420 HB2 :: 2.418 HB3 :: 1.907 HG2 :: 2.100 HG3 :: 2.100 HD2 :: 3.743 HD3 :: 3.983 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) L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 K 0.04 G 0.01 C Shift Assignments>> C :: 177.806 CA :: 56.349 CB :: 42.021 CD1 :: 24.963 CD2 :: 23.505 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 :: 8.257 HA :: 4.173 HB2 :: 1.596 HB3 :: 1.724 HD1 :: 0.924 HD2 :: 0.902 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.393 Ave N Shift Values>> N :: 121.98(4.07) E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.05 Q 0.03 C Shift Assignments>> C :: 176.183 CA :: 56.732 CB :: 30.177 CG :: 36.432 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 :: 8.253 HA :: 4.243 HB2 :: 2.063 HB3 :: 2.063 HG2 :: 2.253 HG3 :: 2.253 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 :: 117.364 Ave N Shift Values>> N :: 120.68(3.68) M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 C 0.24 M 0.23 C Shift Assignments>> C :: 173.902 CA :: 52.649 CB :: 36.142 CG :: 32.512 CE :: 17.624 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 :: 8.008 HA :: 4.207 HB2 :: 2.211 HB3 :: 2.274 HG2 :: 2.573 HG3 :: 2.573 HE :: 2.142 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.384 Ave N Shift Values>> N :: 120.1(3.88) P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.806 CA :: 64.477 CB :: 31.946 CG :: 27.678 CD :: 50.757 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 :: 4.353 HB2 :: 2.379 HB3 :: 1.957 HG2 :: 2.093 HG3 :: 2.093 HD2 :: 3.751 HD3 :: 3.751 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) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 K 0.12 I 0.1 Q 0.05 M 0.01 C Shift Assignments>> C :: 177.116 CA :: 57.347 CB :: 28.586 CG :: 36.245 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 :: 8.994 HA :: 4.235 HB2 :: 2.138 HB3 :: 2.042 HG2 :: 2.268 HG3 :: 2.268 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 :: 118.035 Ave N Shift Values>> N :: 120.68(3.68) K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.15 M 0.02 G 0.01 C Shift Assignments>> C :: 176.877 CA :: 56.982 CB :: 33.382 CG :: 24.712 CD :: 29.002 CE :: 42.155 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 :: 7.892 HA :: 4.316 HB2 :: 1.805 HB3 :: 1.923 HG2 :: 1.422 HG3 :: 1.493 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 3.003 HE3 :: 3.003 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 :: 120.442 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.12 M 0.1 H 0.09 D 0.08 Q 0.08 C 0.07 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.03 A 0.03 S 0.02 C Shift Assignments>> CA :: 55.542 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 :: 8.464 HA :: 4.403 HB2 :: 2.604 HB3 :: 2.855 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.21 D 0.08 Y 0.06 F 0.03 E 0.02 M 0.02 HN Overlap>> S120 C Shift Assignments>> C :: 173.964 CA :: 52.412 CB :: 37.631 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 :: 8.223 HA :: 4.653 HB2 :: 3.054 HB3 :: 2.393 HD21 :: 6.543 HD22 :: 7.253 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.166 ND2 :: 110.384 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 C 0.33 C Shift Assignments>> C :: 174.318 CA :: 59.988 CB :: 72.332 CG2 :: 22.308 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 :: 7.938 HA :: 6.031 HB :: 4.016 HG2 :: 1.216 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.263 Ave N Shift Values>> N :: 115.7(5.05) F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.37 C Shift Assignments>> C :: 171.171 CA :: 56.064 CB :: 41.462 CD1 :: 132.559 CD2 :: 132.559 CE1 :: 130.198 CE2 :: 130.198 CZ :: 129.637 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 :: 9.209 HA :: 5.168 HB2 :: 3.083 HB3 :: 2.826 HD1 :: 6.903 HD2 :: 6.903 HE1 :: 6.790 HE2 :: 6.790 HZ :: 6.363 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 :: 118.727 Ave N Shift Values>> N :: 120.69(4.18) V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.3 I 0.02 C Shift Assignments>> C :: 174.869 CA :: 60.101 CB :: 36.323 CG1 :: 20.842 CG2 :: 22.297 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 :: 9.083 HA :: 5.305 HB :: 1.846 HG1 :: 0.865 HG2 :: 0.953 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 :: 118.833 Ave N Shift Values>> N :: 121.02(4.96) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.26 C 0.15 R 0.01 C Shift Assignments>> C :: 174.894 CA :: 52.921 CB :: 44.952 CG :: 26.572 CD1 :: 26.664 CD2 :: 25.464 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 :: 9.111 HA :: 5.280 HB2 :: 1.907 HB3 :: 1.433 HG :: 1.833 HD1 :: 0.884 HD2 :: 1.123 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 :: 124.220 Ave N Shift Values>> N :: 121.98(4.07) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.29 R 0.27 M 0.02 G 0.01 C Shift Assignments>> C :: 175.735 CA :: 55.175 CB :: 35.772 CG :: 25.220 CD :: 29.805 CE :: 42.142 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 :: 8.894 HA :: 5.253 HB2 :: 1.593 HB3 :: 2.019 HG2 :: 1.393 HG3 :: 1.393 HD2 :: 1.643 HD3 :: 1.663 HE2 :: 2.983 HE3 :: 2.918 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 :: 124.902 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 177.621 CA :: 60.491 CB :: 33.919 CG1 :: 22.500 CG2 :: 21.578 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 :: 8.606 HA :: 5.169 HB :: 2.445 HG1 :: 1.073 HG2 :: 1.113 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 :: 123.059 Ave N Shift Values>> N :: 121.02(4.96) E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.31 K 0.11 I 0.1 Q 0.09 M 0.04 C Shift Assignments>> C :: 176.446 CA :: 59.178 CB :: 29.703 CG :: 35.489 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 :: 8.946 HA :: 4.041 HB2 :: 2.195 HB3 :: 2.138 HG2 :: 2.349 HG3 :: 2.349 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 :: 124.017 Ave N Shift Values>> N :: 120.68(3.68) N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.24 Y 0.1 E 0.07 D 0.07 F 0.06 M 0.03 L 0.01 HN Overlap>> R25 C Shift Assignments>> C :: 176.047 CA :: 53.766 CB :: 37.482 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 :: 8.263 HA :: 4.589 HB2 :: 3.184 HB3 :: 2.958 HD21 :: 7.568 HD22 :: 6.825 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.934 ND2 :: 111.279 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G105 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 :: 173.970 CA :: 45.223 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.377 HA2 :: 4.281 HA3 :: 3.746 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.357 Ave N Shift Values>> N :: 109.91(4.29) A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 L 0.01 C Shift Assignments>> C :: 175.471 CA :: 52.650 CB :: 19.441 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.695 HA :: 4.226 HB :: 1.164 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.229 Ave N Shift Values>> N :: 123.23(3.7) E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 E 0.2 M 0.17 I 0.01 HN Overlap>> R20 C Shift Assignments>> C :: 174.606 CA :: 54.818 CB :: 32.569 CG :: 37.397 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 :: 7.893 HA :: 5.146 HB2 :: 1.723 HB3 :: 1.807 HG2 :: 1.901 HG3 :: 2.305 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 :: 118.077 Ave N Shift Values>> N :: 120.68(3.68) Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 174.041 CA :: 56.967 CB :: 41.004 CD1 :: 132.350 CD2 :: 132.350 CE1 :: 117.734 CE2 :: 117.734 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 :: 9.072 HA :: 4.857 HB2 :: 2.853 HB3 :: 2.648 HD1 :: 6.763 HD2 :: 6.763 HE1 :: 6.350 HE2 :: 6.350 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 :: 122.664 Ave N Shift Values>> N :: 120.79(4.69) I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 174.425 CA :: 61.068 CB :: 38.627 CG1 :: 27.936 CG2 :: 18.958 CD1 :: 13.934 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 :: 9.063 HA :: 4.571 HB :: 1.590 HG2 :: 0.951 HG12 :: 1.452 HG13 :: 0.973 HD1 :: 0.703 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.519 Ave N Shift Values>> N :: 121.6(4.72) L110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.29 G 0.12 L 0.09 K 0.04 C Shift Assignments>> C :: 174.298 CA :: 54.171 CB :: 43.564 CG :: 29.475 CD1 :: 25.460 CD2 :: 26.738 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 :: 8.992 HA :: 5.223 HB2 :: 0.046(S) HB3 :: 0.803 HG :: 1.360 HD1 :: 0.603 HD2 :: 0.528 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 :: 128.632 Ave N Shift Values>> N :: 121.98(4.07) E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.13 E 0.06 C Shift Assignments>> C :: 177.249 CA :: 54.257 CB :: 34.388 CG :: 36.657 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 :: 8.963 HA :: 5.267 HB2 :: 1.397 HB3 :: 1.514 HG2 :: 2.022 HG3 :: 1.818 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.525 Ave N Shift Values>> N :: 120.68(3.68) T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 175.651 CA :: 60.442 CB :: 70.685 CG2 :: 22.749 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.045 HA :: 4.888 HB :: 4.726 HG2 :: 1.269 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.681 Ave N Shift Values>> N :: 115.7(5.05) I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 175.987 CA :: 62.988 CB :: 38.533 CG1 :: 28.230 CG2 :: 17.904 CD1 :: 13.451 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 :: 8.773 HA :: 4.028 HB :: 1.954 HG2 :: 1.026 HG12 :: 1.375 HG13 :: 1.603 HD1 :: 0.979 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 :: 116.717 Ave N Shift Values>> N :: 121.6(4.72) D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.16 D 0.16 G 0.14 C 0.12 K 0.04 F 0.02 N 0.02 Y 0.01 C Shift Assignments>> C :: 177.143 CA :: 52.567 CB :: 43.352 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 :: 7.262 HA :: 4.713 HB2 :: 2.873 HB3 :: 3.182 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.428 Ave N Shift Values>> N :: 120.73(4.2) S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 176.350 CA :: 60.781 CB :: 63.388 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.426 HB2 :: 4.084 HB3 :: 4.019 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) L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.42 R 0.03 C Shift Assignments>> C :: 181.032 CA :: 58.481 CB :: 41.083 CG :: 27.471 CD1 :: 24.023 CD2 :: 24.690 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.809 HA :: 4.253 HB2 :: 1.923 HB3 :: 1.733 HG :: 1.701 HD1 :: 0.937 HD2 :: 0.981 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 :: 125.188 Ave N Shift Values>> N :: 121.98(4.07) Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.24 K 0.17 Q 0.16 I 0.07 M 0.03 R 0.01 HN Overlap>> R59 C Shift Assignments>> C :: 178.341 CA :: 59.021 CB :: 29.162 CG :: 34.928 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 :: 9.113 HA :: 4.173 HB2 :: 2.191 HB3 :: 2.479 HG2 :: 2.711 HG3 :: 2.911 HE21 :: 6.993 HE22 :: 7.984 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 :: 119.217 NE2 :: 114.210 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.31 R 0.21 M 0.01 G 0.01 C Shift Assignments>> C :: 177.008 CA :: 60.860 CB :: 30.302 CG :: 24.234 CD :: 29.282 CE :: 41.826 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 :: 7.414 HA :: 3.938 HB2 :: 2.203 HB3 :: 2.103 HG2 :: 0.953 HG3 :: 1.364 HD2 :: 1.543 HE2 :: 2.883 HE3 :: 2.623 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 :: 121.438 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.29 H 0.26 HN Overlap>> R25 C Shift Assignments>> C :: 178.582 CA :: 60.253 CB :: 30.220 CD2 :: 120.858 CE1 :: 138.490 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 :: 8.170 HA :: 4.089 HB2 :: 3.187 HB3 :: 3.187 HD2 :: 7.100 HE1 :: 7.821 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.855 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> N96 C Shift Assignments>> C :: 176.374 CA :: 61.796 CB :: 62.542 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.183 HA :: 4.163 HB2 :: 3.873 HB3 :: 3.729 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 :: 115.134 Ave N Shift Values>> N :: 116.3(3.95) W121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.7 C 0.29 C Shift Assignments>> C :: 178.521 CA :: 62.082 CB :: 30.132 CD1 :: 126.745 CE3 :: 119.436 CZ2 :: 114.034 CZ3 :: 121.003 CH2 :: 124.329 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 :: 8.183 HA :: 3.932 HB2 :: 3.029 HB3 :: 2.743 HD1 :: 7.294 HE1 :: 10.382 HE3 :: 7.387 HZ2 :: 6.943 HZ3 :: 6.668 HH2 :: 6.780 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 :: 121.817 NE1 :: 128.454 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 177.273 CA :: 67.350 CB :: 31.411 CG1 :: 21.016 CG2 :: 22.801 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 :: 7.914 HA :: 3.042 HB :: 1.844 HG1 :: 0.717 HG2 :: 0.336 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 :: 117.120 Ave N Shift Values>> N :: 121.02(4.96) A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 181.429 CA :: 55.002 CB :: 17.952 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.862 HA :: 4.068 HB :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.722 Ave N Shift Values>> N :: 123.23(3.7) D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 C 0.17 D 0.12 L 0.09 I 0.05 K 0.05 N 0.03 C Shift Assignments>> C :: 179.119 CA :: 56.959 CB :: 40.011 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 :: 7.914 HA :: 4.399 HB2 :: 2.115 HB3 :: 2.492 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 :: 119.606 Ave N Shift Values>> N :: 120.73(4.2) I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.898 CA :: 66.507 CB :: 38.256 CG1 :: 30.505 CG2 :: 17.628 CD1 :: 14.647 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 :: 8.480 HA :: 3.463 HB :: 1.835 HG2 :: 0.865 HG12 :: 2.265 HG13 :: 0.947 HD1 :: 1.031 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.640 Ave N Shift Values>> N :: 121.6(4.72) Q126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.22 E 0.14 R 0.04 I 0.04 M 0.02 C Shift Assignments>> C :: 178.594 CA :: 58.925 CB :: 28.655 CG :: 34.189 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 :: 8.770 HA :: 3.890 HB2 :: 2.184 HB3 :: 2.016 HG2 :: 2.319 HG3 :: 2.484 HE21 :: 6.766 HE22 :: 7.453 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 :: 117.943 NE2 :: 112.408 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 176.035 CA :: 46.439 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.092 HA2 :: 3.962 HA3 :: 3.915 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.363 Ave N Shift Values>> N :: 109.91(4.29) C128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 P 0.2 C 0.12 W 0.08 R 0.04 K 0.03 E 0.03 V 0.02 H 0.02 Q 0.02 C Shift Assignments>> C :: 176.131 CA :: 61.844 CB :: 28.115 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.530 HA :: 4.035 HB2 :: 2.706 HB3 :: 2.153 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 :: 118.314 Ave N Shift Values>> N :: 119.95(4.79) V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> I18 C Shift Assignments>> C :: 177.189 CA :: 64.796 CB :: 32.251 CG1 :: 21.580 CG2 :: 21.201 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 :: 7.830 HA :: 3.773 HB :: 2.234 HG1 :: 1.000 HG2 :: 0.975 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 :: 121.509 Ave N Shift Values>> N :: 121.02(4.96) D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.19 K 0.15 C 0.11 F 0.1 Y 0.08 N 0.05 R 0.04 C Shift Assignments>> C :: 176.565 CA :: 55.134 CB :: 41.235 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 :: 8.329 HA :: 4.645 HB2 :: 2.801 HB3 :: 2.673 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.170 Ave N Shift Values>> N :: 120.73(4.2) S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.966 CA :: 58.809 CB :: 64.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.943 HA :: 4.503 HB2 :: 4.066 HB3 :: 3.991 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 :: 115.527 Ave N Shift Values>> N :: 116.3(3.95) G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 172.016 CA :: 45.034 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.171 HA2 :: 4.199 HA3 :: 4.145 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.475 Ave N Shift Values>> N :: 109.91(4.29) P133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.98 C Shift Assignments>> CA :: 63.377 CB :: 32.259 CG :: 32.242(S) CD :: 49.889 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 :: 4.529 HB2 :: 2.321 HB3 :: 2.321 HG2 :: 2.033 HG3 :: 2.033 HD2 :: 3.685 HD3 :: 3.685 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 128 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 126 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 136 #Suspicious: 0 C Shift Results: #Consistent: 555 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 736 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 125 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: R20 HG3 = 0.550(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.3629e-04 R20 HD2 = 1.642(S), Expected = 3.13, Std = 0.2300, ChiSquare = 9.8285e-11 R20 HD3 = 1.540(S), Expected = 3.13, Std = 0.2200, ChiSquare = 4.9279e-13 E21 HA = 5.996(S), Expected = 4.26, Std = 0.4300, ChiSquare = 5.4091e-05 R25 HA = 5.748(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8199e-04 F26 HA = 6.529(S), Expected = 4.62, Std = 0.5800, ChiSquare = 9.9697e-04 L47 HB2 = 0.430(S), Expected = 1.63, Std = 0.3400, ChiSquare = 4.1648e-04 L47 HD1 = -0.524(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6464e-06 L47 HD2 = -0.665(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.5941e-07 P71 HB3 = 0.636(S), Expected = 2.05, Std = 0.3900, ChiSquare = 2.8825e-04 L110 HB2 = 0.046(S), Expected = 1.63, Std = 0.3400, ChiSquare = 3.1802e-06 P133 CG = 32.242(S), Expected = 27.14, Std = 1.1800, ChiSquare = 1.5341e-05