M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable I16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable I22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.31 L 0.09 Y 0.08 F 0.08 K 0.01 C Shift Assignments>> C :: 174.689 CA :: 53.29 CB :: 39.68 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 :: 8.389 HA :: 3.624 HB2 :: 1.608 HB3 :: 1.571 HG :: 1.588 HD1 :: 0.854 HD2 :: 0.839 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 :: 123.020 Ave N Shift Values>> N :: 121.98(4.07) N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 M 0.1 E 0.05 Y 0.04 P 0.03 K 0.02 D 0.02 F 0.02 Q 0.01 C Shift Assignments>> C :: 172.918 CA :: 51.233 CB :: 36.256 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 :: 8.404 HA :: 4.609 HB2 :: 2.749 HB3 :: 2.672 HD21 :: 7.481 HD22 :: 6.812 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 :: 118.162 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.725 CA :: 56.503 CB :: 61.218 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.075 HA :: 4.264 HB2 :: 3.807 HB3 :: 3.743 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 :: 115.571 Ave N Shift Values>> N :: 116.3(3.95) N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 M 0.11 P 0.06 E 0.05 Y 0.04 K 0.02 D 0.02 F 0.01 Q 0.01 HN Overlap>> R61 C Shift Assignments>> C :: 172.506 CA :: 50.98 CB :: 36.12 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 :: 8.361 HA :: 4.207 HB2 :: 2.269 HB3 :: 2.106 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.458 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 L 0.04 C Shift Assignments>> C :: 174.283 CA :: 52.897 CB :: 39.584 CG :: 24.329 CD1 :: 22.943 CD2 :: 20.724 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 :: 7.949 HA :: 4.103 HB2 :: 1.783 HB3 :: 1.482 HG :: 1.522 HD1 :: 0.819 HD2 :: 0.756 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 :: 120.753 Ave N Shift Values>> N :: 121.98(4.07) N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 M 0.1 E 0.04 P 0.04 Y 0.04 D 0.02 K 0.02 F 0.02 C Shift Assignments>> C :: 171.960 CA :: 50.956 CB :: 36.256 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 :: 8.252 HA :: 4.605 HB2 :: 2.740 HB3 :: 2.681 HD21 :: 7.578 HD22 :: 6.819 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 :: 118.486 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 L 0.08 HN Overlap>> Q81 C Shift Assignments>> C :: 172.313 CA :: 53.174 CB :: 40.139 CG :: 24.607 CD1 :: 22.665 CD2 :: 20.724 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 :: 8.109 HA :: 4.142 HB2 :: 1.656 HB3 :: 1.324 HG :: 1.496 HD1 :: 0.823 HD2 :: 0.753 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 :: 121.401 Ave N Shift Values>> N :: 121.98(4.07) F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.21 Y 0.17 F 0.14 L 0.05 E 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 171.588 CA :: 54.561 CB :: 38.752 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 :: 7.774 HA :: 4.888 HB2 :: 2.812 HB3 :: 2.711 HD1 :: 6.869 HE1 :: 6.768 HZ :: 7.063 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 :: 119.781 Ave N Shift Values>> N :: 120.69(4.18) Y38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.17 F 0.15 Y 0.14 N 0.12 K 0.08 I 0.01 R 0.01 C Shift Assignments>> C :: 172.503 CA :: 55.116 CB :: 40.416 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 :: 8.645 HA :: 4.585 HB2 :: 2.929 HB3 :: 2.360 HD1 :: 6.898 HE1 :: 6.990 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.288 Ave N Shift Values>> N :: 120.79(4.69) T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.76 A 0.2 T 0.03 C Shift Assignments>> CA :: 57.335 CB :: 65.656 CG2 :: 19.892 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 :: 8.445 HA :: 5.037 HB :: 4.868 HG2 :: 1.370 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 :: 110.065 Ave N Shift Values>> N :: 115.7(5.05) P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.92 P 0.07 C Shift Assignments>> C :: 175.788 CA :: 63.991 CB :: 29.599 CG :: 26.548 CD :: 47.073 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 :: 3.808 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 1.647 HG3 :: 1.315 HD2 :: 4.148 HD3 :: 3.890 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) S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.166 CA :: 60.940 CB :: 59.831 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.948 HA :: 3.967 HB2 :: 3.797 HB3 :: 3.691 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.008 Ave N Shift Values>> N :: 116.3(3.95) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.18 Q 0.16 M 0.15 I 0.02 C Shift Assignments>> C :: 176.046 CA :: 55.116 CB :: 29.876 CG :: 35.701 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 :: 7.637 HA :: 3.943 HB2 :: 2.586 HB3 :: 1.873 HG2 :: 2.477 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 :: 120.105 Ave N Shift Values>> N :: 120.68(3.68) I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> C :: 173.549 CA :: 61.773 CB :: 34.314 CG1 :: 26.271 CG2 :: 14.899 CD1 :: 11.294 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 :: 7.516 HA :: 3.142 HB :: 1.955 HG2 :: 0.580 HG12 :: 1.482 HG13 :: 0.588 HD1 :: 0.396 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 :: 118.810 Ave N Shift Values>> N :: 121.6(4.72) V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 I 0.34 C Shift Assignments>> C :: 174.662 CA :: 62.050 CB :: 30.431 CG1 :: 18.505 CG2 :: 18.505 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.841 HA :: 3.754 HB :: 1.893 HG1 :: 0.924 HG2 :: 0.842 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 :: 112.656 Ave N Shift Values>> N :: 121.02(4.96) N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 D 0.14 Y 0.05 F 0.04 L 0.01 E 0.01 M 0.01 HN Overlap>> N76 C Shift Assignments>> C :: 173.617 CA :: 51.510 CB :: 38.197 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 :: 8.151 HA :: 4.777 HB2 :: 2.776 HB3 :: 2.695 HD21 :: 7.356 HD22 :: 6.949 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.628 ND2 :: 113.63 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 L 0.23 D 0.15 F 0.11 R 0.07 Y 0.07 I 0.03 N 0.02 C Shift Assignments>> C :: 170.175 CA :: 41.803 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.769 HA2 :: 3.913 HA3 :: 3.508 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.741 Ave N Shift Values>> N :: 109.91(4.29) K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.2 M 0.03 C Shift Assignments>> C :: 176.300 CA :: 53.729 CB :: 29.599 CG :: 22.110 CD :: 25.716 CE :: 39.029 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 :: 7.974 HA :: 4.111 HB2 :: 2.055 HB3 :: 1.802 HG2 :: 1.465 HG3 :: 1.465 HD2 :: 1.327 HD3 :: 1.275 HE2 :: 2.837 HE3 :: 2.571 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.134 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 S 0.12 C Shift Assignments>> C :: 172.600 CA :: 63.437 CB :: 66.488 CG2 :: 19.337 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 :: 9.378 HA :: 3.840 HB :: 4.071 HG2 :: 1.190 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.105 Ave N Shift Values>> N :: 115.7(5.05) D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 Y 0.11 E 0.09 D 0.08 F 0.06 M 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 174.995 CA :: 53.452 CB :: 37.37 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 :: 8.737 HA :: 4.402 HB2 :: 2.679 HB3 :: 2.679 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 :: 116.866 Ave N Shift Values>> N :: 120.73(4.2) T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 S 0.09 A 0.05 C Shift Assignments>> C :: 173.650 CA :: 59.276 CB :: 68.152 CG2 :: 19.060 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 :: 7.639 HA :: 4.341 HB :: 4.269 HG2 :: 1.079 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 :: 107.474 Ave N Shift Values>> N :: 115.7(5.05) G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.1 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 171.276 CA :: 43.467 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.403 HA2 :: 4.078 HA3 :: 3.785 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.712 Ave N Shift Values>> N :: 109.91(4.29) V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 I 0.08 C Shift Assignments>> C :: 173.782 CA :: 61.218 CB :: 30.431 CG1 :: 19.060 CG2 :: 19.060 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.398 HA :: 3.882 HB :: 1.790 HG1 :: 0.854 HG2 :: 0.843 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 :: 119.458 Ave N Shift Values>> N :: 121.02(4.96) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.04 K 0.02 R 0.02 L 0.01 C Shift Assignments>> CA :: 51.510 CB :: 30.986 CG :: 22.388 CD :: 26.826 CE :: 39.584 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 :: 8.667 HA :: 4.601 HB2 :: 1.698 HB3 :: 1.517 HG2 :: 1.594 HG3 :: 1.316 HD2 :: 1.538 HD3 :: 1.538 HE2 :: 2.822 HE3 :: 2.699 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 :: 128.850 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.96 L 0.02 C Shift Assignments>> C :: 172.201 CA :: 59.78 CB :: 29.38 CG :: 24.67 CD :: 47.05 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 :: 4.467 HB2 :: 1.634 HB3 :: 1.431 HG2 :: 1.409 HG3 :: 0.794 HD2 :: 3.578 HD3 :: 3.237 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.31 K 0.21 P 0.07 E 0.04 R 0.03 C Shift Assignments>> C :: 172.767 CA :: 51.510 CB :: 30.154 CG :: 33.482 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 :: 7.682 HA :: 4.299 HB2 :: 1.936 HB3 :: 1.622 HG2 :: 2.139 HG3 :: 2.139 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 :: 118.162 Ave N Shift Values>> N :: 120.68(3.68) A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.48 C Shift Assignments>> C :: 176.090 CA :: 50.956 CB :: 15.177 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.391 HA :: 3.715 HB :: 1.144 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.373 Ave N Shift Values>> N :: 123.23(3.7) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.19 R 0.17 D 0.11 F 0.08 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 171.479 CA :: 42.358 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.264 HA2 :: 4.235 HA3 :: 3.369 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.712 Ave N Shift Values>> N :: 109.91(4.29) Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 K 0.35 Q 0.17 M 0.06 C Shift Assignments>> C :: 172.165 CA :: 53.729 CB :: 27.658 CG :: 32.095 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 :: 7.787 HA :: 4.193 HB2 :: 2.104 HB3 :: 1.851 HG2 :: 2.360 HG3 :: 2.266 HE21 :: 7.611 HE22 :: 6.909 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 :: 120.105 NE2 :: 111.36 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 K 0.37 R 0.04 C Shift Assignments>> C :: 173.343 CA :: 53.174 CB :: 27.658 CG :: 25.439 CD :: 41.248 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 :: 8.359 HA :: 4.842 HB2 :: 1.709 HB3 :: 1.607 HG2 :: 1.511 HG3 :: 1.337 HD2 :: 3.060 HD3 :: 3.060 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 :: 123.668 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 A 0.31 G 0.01 C Shift Assignments>> C :: 170.776 CA :: 57.335 CB :: 40.971 CG1 :: 22.388 CG2 :: 16.009 CD1 :: 12.403 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 :: 8.822 HA :: 4.917 HB :: 1.945 HG2 :: 0.725 HG12 :: 0.980 HG13 :: 0.780 HD1 :: 0.299 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 :: 119.134 Ave N Shift Values>> N :: 121.6(4.72) R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.25 G 0.19 HN Overlap>> N33 C Shift Assignments>> C :: 171.706 CA :: 51.788 CB :: 31.541 CG :: 25.993 CD :: 42.90 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 :: 8.408 HA :: 5.261 HB2 :: 1.608 HB3 :: 1.573 HG2 :: 1.513 HG3 :: 1.384 HD2 :: 3.105 HD3 :: 3.105 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 :: 119.458 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 V 0.2 C Shift Assignments>> C :: 170.988 CA :: 56.225 CB :: 32.927 CG1 :: 20.169 CG2 :: 17.950 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.016 HA :: 5.206 HB :: 1.484 HG1 :: 0.592 HG2 :: 0.520 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 :: 120.429 Ave N Shift Values>> N :: 121.02(4.96) G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 K 0.18 L 0.17 F 0.16 Y 0.1 I 0.06 N 0.04 R 0.02 C Shift Assignments>> C :: 169.381 CA :: 41.248 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.271 HA2 :: 5.194 HA3 :: 3.225 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.008 Ave N Shift Values>> N :: 109.91(4.29) G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.25 K 0.14 D 0.09 F 0.07 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 167.966 CA :: 42.635 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.758 HA2 :: 3.740 HA3 :: 3.603 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.206 Ave N Shift Values>> N :: 109.91(4.29) M65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 G 0.19 M 0.11 C Shift Assignments>> C :: 172.856 CA :: 50.956 CB :: 31.263 CG :: 29.322 CE :: 30.986(S) 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 :: 8.612 HA :: 4.564 HB2 :: 1.037 HB3 :: 0.839 HG2 :: 2.204 HG3 :: 2.157 HE :: 1.937 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 :: 117.838 Ave N Shift Values>> N :: 120.1(3.88) V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 I 0.11 C Shift Assignments>> C :: 175.097 CA :: 60.663 CB :: 29.599 CG1 :: 18.505 CG2 :: 20.446 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 :: 8.081 HA :: 4.401 HB :: 1.915 HG1 :: 0.817 HG2 :: 0.521 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 :: 122.696 Ave N Shift Values>> N :: 121.02(4.96) T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.52 S 0.46 C Shift Assignments>> C :: 172.888 CA :: 61.218 CB :: 66.488 CG2 :: 19.337 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 :: 9.127 HA :: 4.216 HB :: 3.952 HG2 :: 1.245 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 :: 127.879 Ave N Shift Values>> N :: 115.7(5.05) V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 I 0.42 C Shift Assignments>> C :: 174.396 CA :: 62.327 CB :: 29.044 CG1 :: 19.614 CG2 :: 18.227 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 :: 9.393 HA :: 3.758 HB :: 1.925 HG1 :: 0.950 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 :: 133.061 Ave N Shift Values>> N :: 121.02(4.96) G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 K 0.06 D 0.06 G 0.05 F 0.05 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.264 CA :: 43.190 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.378 HA2 :: 4.073 HA3 :: 3.840 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.543 Ave N Shift Values>> N :: 109.91(4.29) S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.497 CA :: 56.780 CB :: 62.882 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.696 HA :: 4.337 HB2 :: 4.070 HB3 :: 3.490 HG :: 6.124 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.656 Ave N Shift Values>> N :: 116.3(3.95) M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 M 0.06 C Shift Assignments>> C :: 174.111 CA :: 54.284 CB :: 30.154 CG :: 29.876 CE :: 26.548 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 :: 8.373 HA :: 5.081 HB2 :: 2.093 HB3 :: 1.966 HG2 :: 2.380 HG3 :: 2.349 HE :: 1.761 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.696 Ave N Shift Values>> N :: 120.1(3.88) V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 I 0.24 A 0.04 C Shift Assignments>> C :: 172.516 CA :: 59.831 CB :: 32.095 CG1 :: 18.227 CG2 :: 18.227 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 :: 9.436 HA :: 4.210 HB :: 1.921 HG1 :: 0.856 HG2 :: 0.828 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.526 Ave N Shift Values>> N :: 121.02(4.96) R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.17 L 0.16 C Shift Assignments>> C :: 172.628 CA :: 51.788 CB :: 29.876 CG :: 25.439 CD :: 40.971 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 :: 8.750 HA :: 4.750 HB2 :: 1.767 HB3 :: 1.540 HG2 :: 1.453 HG3 :: 1.453 HD2 :: 3.055 HD3 :: 3.055 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 :: 126.907 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.31 G 0.09 L 0.06 F 0.03 Y 0.02 C Shift Assignments>> CA :: 49.014 CB :: 40.416 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 :: 8.441 HA :: 4.837 HB2 :: 2.897 HB3 :: 2.597 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 :: 125.935 Ave N Shift Values>> N :: 120.73(4.2) P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 G 0.32 A 0.01 C Shift Assignments>> C :: 174.466 CA :: 61.66 CB :: 29.87 CG :: 24.60 CD :: 48.60 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 :: 4.300 HB2 :: 2.240 HB3 :: 1.815 HG2 :: 1.943 HG3 :: 1.901 HD2 :: 3.880 HD3 :: 3.845 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) N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.09 Y 0.04 F 0.03 M 0.01 E 0.01 HN Overlap>> N45 C Shift Assignments>> C :: 171.596 CA :: 50.956 CB :: 37.642 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.249 HA :: 4.740 HB2 :: 2.867 HB3 :: 2.623 HD21 :: 7.731 HD22 :: 6.886 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.628 ND2 :: 114.28 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> L103 C Shift Assignments>> C :: 170.182 CA :: 55.671 CB :: 62.882 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.774 HA :: 4.551 HB2 :: 3.940 HB3 :: 3.692 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.599 Ave N Shift Values>> N :: 116.3(3.95) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 L 0.02 C Shift Assignments>> C :: 173.515 CA :: 52.342 CB :: 39.029 CG :: 24.329 CD1 :: 23.220 CD2 :: 20.446 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 :: 8.162 HA :: 4.261 HB2 :: 1.410 HB3 :: 1.300 HG :: 1.464 HD1 :: 0.757 HD2 :: 0.687 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 :: 117.838 Ave N Shift Values>> N :: 121.98(4.07) H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.24 Q 0.14 H 0.1 K 0.09 E 0.04 I 0.02 C Shift Assignments>> C :: 172.223 CA :: 55.116 CB :: 26.826 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 :: 8.157 HA :: 4.744 HB2 :: 3.036 HB3 :: 2.978 HD2 :: 7.077 HE1 :: 8.08 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 :: 117.190 ND1 :: 178.30 NE2 :: 187.55 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 V 0.31 C Shift Assignments>> C :: 169.633 CA :: 56.780 CB :: 33.759 CG1 :: 19.060 CG2 :: 19.060 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.776 HA :: 5.033 HB :: 2.064 HG1 :: 0.963 HG2 :: 0.939 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 :: 123.668 Ave N Shift Values>> N :: 121.02(4.96) Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.84 Q 0.08 K 0.04 R 0.01 HN Overlap>> L36 C Shift Assignments>> C :: 170.610 CA :: 50.956 CB :: 31.818 CG :: 32.373 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 :: 8.161 HA :: 5.424 HB2 :: 1.881 HB3 :: 1.775 HG2 :: 2.186 HG3 :: 1.938 HE21 :: 7.849 HE22 :: 6.937 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.401 NE2 :: 113.62 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F82 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 E 0.11 Y 0.11 M 0.06 D 0.06 F 0.06 K 0.01 C Shift Assignments>> C :: 168.324(M) CA :: 53.452 CB :: 37.088 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 :: 8.597 HA :: 4.980 HB2 :: 3.239 HB3 :: 2.987 HD1 :: 6.835 HE1 :: 6.672 HZ :: 6.490 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 :: 118.486 Ave N Shift Values>> N :: 120.69(4.18) A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 A 0.2 C Shift Assignments>> C :: 173.941 CA :: 47.627 CB :: 19.060 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.740 HA :: 5.473 HB :: 1.245 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.810 Ave N Shift Values>> N :: 123.23(3.7) V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 A 0.38 C Shift Assignments>> C :: 171.765 CA :: 57.335 CB :: 32.373 CG1 :: 20.169 CG2 :: 18.505 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 :: 8.821 HA :: 4.982 HB :: 1.510 HG1 :: 0.722 HG2 :: 0.533 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 :: 118.162 Ave N Shift Values>> N :: 121.02(4.96) H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 M 0.17 H 0.15 R 0.11 K 0.06 Q 0.05 E 0.03 C Shift Assignments>> C :: 171.168 CA :: 51.788 CB :: 31.263 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.294 HA :: 6.194 HB2 :: 3.498 HB3 :: 3.010 HD2 :: 8.095 HE1 :: 8.740 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 :: 120.753 ND1 :: 181.00 NE2 :: 219.15 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.22 L 0.16 G 0.09 K 0.04 R 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.343 CA :: 49.569 CB :: 41.803 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 :: 8.090 HA :: 5.117 HB2 :: 3.481 HB3 :: 2.685 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 :: 116.866 Ave N Shift Values>> N :: 120.73(4.2) S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.14 S 0.13 Y 0.13 E 0.1 R 0.08 K 0.07 Q 0.06 H 0.06 M 0.05 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> C :: 172.326 CA :: 58.35 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.14 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.599 Ave N Shift Values>> N :: 116.3(3.95) L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 L 0.03 HN Overlap>> E91 C Shift Assignments>> C :: 175.037 CA :: 52.620 CB :: 39.307 CG :: 24.607 CD1 :: 22.943 CD2 :: 20.446 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 :: 8.013 HA :: 4.394 HB2 :: 1.778 HB3 :: 1.577 HG :: 1.524 HD1 :: 0.827 HD2 :: 0.760 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 :: 121.077 Ave N Shift Values>> N :: 121.98(4.07) G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.19 R 0.17 D 0.11 F 0.08 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 172.655 CA :: 42.358 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.808 HA2 :: 4.269 HA3 :: 3.581 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.178 Ave N Shift Values>> N :: 109.91(4.29) G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.31 K 0.1 D 0.07 F 0.05 Y 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 169.906 CA :: 42.912 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.471 HA2 :: 3.998 HA3 :: 3.296 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.036 Ave N Shift Values>> N :: 109.91(4.29) E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 E 0.47 K 0.02 Q 0.01 I 0.01 HN Overlap>> L88 C Shift Assignments>> C :: 172.507 CA :: 53.452 CB :: 31.818 CG :: 36.810 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 :: 7.978 HA :: 5.393 HB2 :: 1.803 HB3 :: 1.803 HG2 :: 1.957 HG3 :: 1.866 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 :: 121.077 Ave N Shift Values>> N :: 120.68(3.68) I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 A 0.18 HN Overlap>> E106 C Shift Assignments>> C :: 169.994 CA :: 56.225 CB :: 40.416 CG1 :: 24.884 CG2 :: 14.899 CD1 :: 13.235 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 :: 8.609 HA :: 4.607 HB :: 1.698 HG2 :: 0.671 HG12 :: 0.923 HG13 :: 0.923 HD1 :: 0.593 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 :: 120.753 Ave N Shift Values>> N :: 121.6(4.72) L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 L 0.06 C Shift Assignments>> C :: 172.173 CA :: 51.510 CB :: 41.248 CG :: 24.607 CD1 :: 22.388 CD2 :: 20.724 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 :: 8.512 HA :: 4.745 HB2 :: 1.579 HB3 :: 0.946 HG :: 1.531 HD1 :: 0.692 HD2 :: 0.689 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 :: 123.344 Ave N Shift Values>> N :: 121.98(4.07) V94 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.67 A 0.31 C Shift Assignments>> C :: 171.986 CA :: 57.335 CB :: 31.541 CG1 :: 19.337 CG2 :: 20.446 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 :: 8.822 HA :: 4.709 HB :: 0.335(S) HG1 :: 0.435 HG2 :: 0.383 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 :: 121.725 Ave N Shift Values>> N :: 121.02(4.96) SRO Rule Breaks>> (HB > HG1 : 0.9918) (HB > HG2 : 0.9927) T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 T 0.11 S 0.02 C Shift Assignments>> C :: 170.096 CA :: 56.503 CB :: 68.429 CG2 :: 18.782 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 :: 8.770 HA :: 5.149 HB :: 4.049 HG2 :: 1.023 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.304 Ave N Shift Values>> N :: 115.7(5.05) Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.17 F 0.14 L 0.14 Y 0.14 K 0.05 I 0.01 C Shift Assignments>> C :: 170.865 CA :: 54.839 CB :: 40.139 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 :: 8.457 HA :: 4.832 HB2 :: 2.766 HB3 :: 2.530 HD1 :: 6.966 HE1 :: 6.365 HH :: 6.255 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.429 Ave N Shift Values>> N :: 120.79(4.69) D97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.25 Y 0.04 F 0.04 L 0.04 C Shift Assignments>> C :: 170.453(S) CA :: 51.233 CB :: 39.307 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.605 HA :: 4.774 HB2 :: 2.538 HB3 :: 2.148 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.316 Ave N Shift Values>> N :: 120.73(4.2) D98 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> D 0.36 N 0.31 G 0.11 L 0.11 F 0.03 K 0.02 Y 0.02 R 0.01 C Shift Assignments>> C :: 171.187 CA :: 49.014 CB :: 41.248 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.031(M) HA :: 4.540 HB2 :: 2.405 HB3 :: 1.880 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 :: 117.514 Ave N Shift Values>> N :: 120.73(4.2) L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.14 C Shift Assignments>> C :: 175.455 CA :: 52.897 CB :: 39.861 CG :: 24.329 CD1 :: 22.665 CD2 :: 21.556 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 :: 9.028 HA :: 4.092 HB2 :: 1.480 HB3 :: 1.402 HG :: 1.595 HD1 :: 0.803 HD2 :: 0.759 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 :: 119.781 Ave N Shift Values>> N :: 121.98(4.07) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> CA :: 50.678 CB :: 38.475 CG :: 24.052 CD1 :: 20.446 CD2 :: 22.388 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 :: 8.569 HA :: 4.218 HB2 :: 1.453 HB3 :: 0.787 HG :: 1.552 HD1 :: 0.113 HD2 :: 0.089 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 :: 126.259 Ave N Shift Values>> N :: 121.98(4.07) P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.95 P 0.01 L 0.01 C Shift Assignments>> C :: 174.518 CA :: 60.108 CB :: 29.599 CG :: 25.439 CD :: 47.350 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 :: 4.446 HB2 :: 2.459 HB3 :: 1.926 HG2 :: 2.133 HG3 :: 1.817 HD2 :: 3.643 HD3 :: 3.188 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) D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 Y 0.18 D 0.15 F 0.13 E 0.07 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.523 CA :: 54.561 CB :: 38.197 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 :: 8.639 HA :: 4.233 HB2 :: 2.719 HB3 :: 2.544 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 :: 122.049 Ave N Shift Values>> N :: 120.73(4.2) L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 L 0.01 HN Overlap>> S77 C Shift Assignments>> C :: 173.592 CA :: 52.620 CB :: 38.475 CG :: 24.607 CD1 :: 22.388 CD2 :: 20.446 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 :: 7.820 HA :: 4.106 HB2 :: 1.627 HB3 :: 1.471 HG :: 1.410 HD1 :: 0.700 HD2 :: 0.591 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 :: 114.599 Ave N Shift Values>> N :: 121.98(4.07) F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 E 0.22 F 0.2 I 0.11 N 0.04 M 0.03 D 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 172.308 CA :: 57.335 CB :: 37.642 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 :: 7.509 HA :: 3.778 HB2 :: 2.940 HB3 :: 2.513 HD1 :: 6.606 HE1 :: 6.419 HZ :: 5.661 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 :: 119.134 Ave N Shift Values>> N :: 120.69(4.18) R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 A 0.11 R 0.06 L 0.01 C Shift Assignments>> C :: 171.495 CA :: 51.788 CB :: 31.263 CG :: 24.052 CD :: 40.693 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 :: 7.491 HA :: 4.314 HB2 :: 1.540 HB3 :: 1.361 HG2 :: 1.509 HG3 :: 1.369 HD2 :: 3.133 HD3 :: 3.001 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 :: 126.583 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.33 E 0.19 R 0.06 M 0.02 I 0.01 HN Overlap>> I92 C Shift Assignments>> C :: 174.260 CA :: 55.116 CB :: 28.212 CG :: 34.592 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 :: 8.639 HA :: 3.497 HB2 :: 1.903 HB3 :: 1.824 HG2 :: 2.362 HG3 :: 2.119 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 :: 120.753 Ave N Shift Values>> N :: 120.68(3.68) G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.31 K 0.1 D 0.07 F 0.05 Y 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 170.194 CA :: 42.912 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.878 HA2 :: 4.079 HA3 :: 3.673 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.036 Ave N Shift Values>> N :: 109.91(4.29) Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 M 0.21 K 0.18 R 0.13 Q 0.04 C Shift Assignments>> C :: 172.996 CA :: 51.233 CB :: 29.599 CG :: 31.541 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 :: 7.190 HA :: 4.549 HB2 :: 1.987 HB3 :: 1.705 HG2 :: 2.108 HG3 :: 2.108 HE21 :: 7.285 HE22 :: 6.645 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.219 NE2 :: 110.71 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.17 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 171.343 CA :: 43.744 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.694 HA2 :: 4.593 HA3 :: 3.632 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.445 Ave N Shift Values>> N :: 109.91(4.29) I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 I 0.19 G 0.04 C Shift Assignments>> C :: 173.402 CA :: 55.948 CB :: 42.080 CG1 :: 24.329 CG2 :: 18.227 CD1 :: 13.790 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 :: 8.946 HA :: 4.985 HB :: 1.664 HG2 :: 0.590 HG12 :: 1.312 HG13 :: 0.813 HD1 :: 0.730 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 :: 118.486 Ave N Shift Values>> N :: 121.6(4.72) V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 A 0.04 C Shift Assignments>> C :: 171.667 CA :: 58.999 CB :: 32.373 CG1 :: 19.614 CG2 :: 19.060 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.545 HA :: 4.898 HB :: 1.749 HG1 :: 0.862 HG2 :: 0.784 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 :: 119.134 Ave N Shift Values>> N :: 121.02(4.96) A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 A 0.05 C Shift Assignments>> C :: 172.120 CA :: 47.073 CB :: 19.614 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.276 HA :: 5.302 HB :: 1.069 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.203 Ave N Shift Values>> N :: 123.23(3.7) Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 K 0.2 P 0.2 Q 0.12 R 0.08 C Shift Assignments>> C :: 172.660 CA :: 51.233 CB :: 30.154 CG :: 32.095 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 :: 8.499 HA :: 5.432 HB2 :: 1.997 HB3 :: 1.903 HG2 :: 2.181 HG3 :: 2.104 HE21 :: 7.328 HE22 :: 6.798 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 :: 119.781 NE2 :: 111.36 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.29 G 0.27 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 167.424(S) CA :: 44.022 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.792 HA2 :: 4.440 HA3 :: 4.312 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.712 Ave N Shift Values>> N :: 109.91(4.29) V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 A 0.34 I 0.04 C Shift Assignments>> C :: 173.601 CA :: 57.890 CB :: 32.095 CG1 :: 19.060 CG2 :: 18.505 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 :: 7.676 HA :: 4.549 HB :: 1.761 HG1 :: 0.776 HG2 :: 0.659 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 :: 118.486 Ave N Shift Values>> N :: 121.02(4.96) L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 L 0.02 C Shift Assignments>> C :: 173.450 CA :: 52.342 CB :: 39.861 CG :: 24.052 CD1 :: 20.724 CD2 :: 22.943 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 :: 8.357 HA :: 4.278 HB2 :: 1.755 HB3 :: 0.980 HG :: 1.429 HD1 :: 0.485 HD2 :: 0.410 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 :: 129.822 Ave N Shift Values>> N :: 121.98(4.07) G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.19 R 0.17 D 0.11 F 0.08 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 173.238 CA :: 42.358 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.833 HA2 :: 4.433 HA3 :: 3.924 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.275 Ave N Shift Values>> N :: 109.91(4.29) E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.28 R 0.16 E 0.09 M 0.02 I 0.02 C Shift Assignments>> C :: 173.582 CA :: 56.225 CB :: 26.826 CG :: 34.037 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 :: 9.012 HA :: 3.895 HB2 :: 1.945 HB3 :: 1.865 HG2 :: 2.181 HG3 :: 2.181 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 :: 121.077 Ave N Shift Values>> N :: 120.68(3.68) D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.8 D 0.08 Y 0.03 F 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 174.221 CA :: 50.401 CB :: 37.642 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 :: 8.025 HA :: 4.327 HB2 :: 2.872 HB3 :: 2.528 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 :: 115.247 Ave N Shift Values>> N :: 120.73(4.2) G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 K 0.06 D 0.06 G 0.05 F 0.05 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.079 CA :: 43.190 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.746 HA2 :: 4.022 HA3 :: 3.398 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.826 Ave N Shift Values>> N :: 109.91(4.29) K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.14 K 0.11 R 0.03 L 0.01 C Shift Assignments>> C :: 173.326 CA :: 52.620 CB :: 30.986 CG :: 22.943 CD :: 27.380 CE :: 39.307 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 :: 7.474 HA :: 4.576 HB2 :: 1.635 HB3 :: 1.245 HG2 :: 1.064 HG3 :: 1.064 HD2 :: 1.377 HD3 :: 1.289 HE2 :: 2.738 HE3 :: 2.683 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 :: 118.162 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.46 G 0.03 HN Overlap>> L128 C Shift Assignments>> C :: 170.908 CA :: 51.510 CB :: 41.803 CG :: 25.161 CD1 :: 23.497 CD2 :: 21.833 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 :: 8.931 HA :: 4.417 HB2 :: 1.891 HB3 :: 0.856 HG :: 0.927 HD1 :: 0.479 HD2 :: 0.424 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 :: 125.288 Ave N Shift Values>> N :: 121.98(4.07) A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 A 0.09 M 0.04 C Shift Assignments>> C :: 174.153 CA :: 48.182 CB :: 14.899 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 :: 4.804 HB :: 1.231 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.118 Ave N Shift Values>> N :: 123.23(3.7) A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 174.872 CA :: 50.401 CB :: 17.118 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.968 HA :: 4.663 HB :: 1.232 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.203 Ave N Shift Values>> N :: 123.23(3.7) T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 S 0.29 A 0.01 C Shift Assignments>> C :: 172.262 CA :: 59.831 CB :: 67.042 CG2 :: 19.892 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 :: 9.649 HA :: 4.496 HB :: 4.311 HG1 :: 6.461 HG2 :: 1.189 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.036 Ave N Shift Values>> N :: 115.7(5.05) E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 Q 0.21 E 0.19 K 0.05 C Shift Assignments>> C :: 171.546 CA :: 54.284 CB :: 31.818 CG :: 34.592 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 :: 7.733 HA :: 4.772 HB2 :: 1.986 HB3 :: 1.903 HG2 :: 2.177 HG3 :: 2.009 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 :: 120.753 Ave N Shift Values>> N :: 120.68(3.68) V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 I 0.15 A 0.08 C Shift Assignments>> C :: 170.308 CA :: 59.276 CB :: 32.650 CG1 :: 19.060 CG2 :: 17.673 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 :: 8.046 HA :: 4.347 HB :: 1.245 HG1 :: 0.549 HG2 :: 0.060 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.373 Ave N Shift Values>> N :: 121.02(4.96) L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.1 G 0.07 HN Overlap>> L122 C Shift Assignments>> C :: 172.998 CA :: 50.956 CB :: 42.080 CG :: 24.607 CD1 :: 21.278 CD2 :: 22.665 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 :: 8.898 HA :: 4.636 HB2 :: 1.542 HB3 :: 1.453 HG :: 1.399 HD1 :: 0.797 HD2 :: 0.729 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 :: 125.288 Ave N Shift Values>> N :: 121.98(4.07) A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 G 0.04 C Shift Assignments>> C :: 174.443 CA :: 49.291 CB :: 16.841 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.570 HA :: 4.369 HB :: 1.053 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.992 Ave N Shift Values>> N :: 123.23(3.7) K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 R 0.05 M 0.04 K 0.02 C Shift Assignments>> C :: 172.311 CA :: 52.620 CB :: 31.263 CG :: 21.833 CD :: 26.548 CE :: 39.861 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 :: 7.818 HA :: 4.273 HB2 :: 1.621 HB3 :: 1.317 HG2 :: 1.191 HG3 :: 1.191 HD2 :: 1.469 HD3 :: 1.469 HE2 :: 2.758 HE3 :: 2.758 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.696 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 Q 0.19 K 0.17 R 0.15 L 0.13 E 0.07 M 0.04 C Shift Assignments>> C :: 173.277 CA :: 53.452 CB :: 28.490 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 :: 8.393 HA :: 4.579 HB2 :: 3.056 HB3 :: 2.911 HD2 :: 8.159 HE1 :: 6.92 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 :: 121.725 ND1 :: 175.97 NE2 :: 221.75 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.16 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 172.184 CA :: 51.510 CB :: 38.475 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 :: 8.253 HA :: 4.411 HB2 :: 2.471 HB3 :: 2.471 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 :: 120.105 Ave N Shift Values>> N :: 120.73(4.2) E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.35 R 0.11 M 0.07 E 0.06 C Shift Assignments>> C :: 171.469 CA :: 53.729 CB :: 28.490 CG :: 33.482 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 :: 7.941 HA :: 4.075 HB2 :: 1.691 HB3 :: 1.594 HG2 :: 1.982 HG3 :: 1.982 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 :: 118.810 Ave N Shift Values>> N :: 120.68(3.68) N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.8 D 0.05 Y 0.04 M 0.03 F 0.02 E 0.01 P 0.01 C Shift Assignments>> C :: 171.928 CA :: 50.401 CB :: 37.088 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 :: 8.162 HA :: 4.580 HB2 :: 2.583 HB3 :: 2.464 HD21 :: 7.436 HD22 :: 6.728 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 :: 118.810 ND2 :: 112.66 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 E 0.27 F 0.17 I 0.09 N 0.05 M 0.05 D 0.02 K 0.02 C Shift Assignments>> CA :: 57.057 CB :: 37.365 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 :: 7.497 HA :: 4.245 HB2 :: 2.987 HB3 :: 2.611 HD1 :: 6.913 HE1 :: 7.021 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 :: 124.964 Ave N Shift Values>> N :: 120.79(4.69) M136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K157 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S158 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 155 #Clerical: 0 #Suspicious: 4 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 55 Shift Relative Order (SRO) Results: #Consistent: 160 #Suspicious: 1 C Shift Results: #Consistent: 413 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent: 582 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 N Shift Results: #Consistent: 115 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: M65 CE = 30.986(S), Expected = 17.21, Std = 3.4200, ChiSquare = 5.6237e-05 F82 C = 168.324(M), Expected = 175.49, Std = 2.1300, ChiSquare = 7.6733e-04 V94 HB = 0.335(S), Expected = 1.99, Std = 0.3300, ChiSquare = 5.2992e-07 V94 SRO Rule Break>> HB > HG1 : 0.991770514930637 V94 SRO Rule Break>> HB > HG2 : 0.992725509214355 D97 C = 170.453(S), Expected = 176.41, Std = 1.7700, ChiSquare = 7.6395e-04 D98 H = 6.031(M), Expected = 8.33, Std = 0.5700, ChiSquare = 5.4991e-05 G114 C = 167.424(S), Expected = 174.04, Std = 1.9400, ChiSquare = 6.4889e-04