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 P3 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 I5 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 G8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable I12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P13 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 S15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 K 0.12 N 0.12 F 0.09 Y 0.08 R 0.03 C Shift Assignments>> C :: 176.322 CA :: 54.2 CB :: 41.059 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 :: 8.416 HA :: 4.57 HB2 :: 2.71 HB3 :: 2.58 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.721 Ave N Shift Values>> N :: 120.73(4.2) R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.22 G 0.07 L 0.04 C Shift Assignments>> C :: 176.873 CA :: 56.737 CB :: 30.007 CG :: 26.755 CD :: 43.076 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 :: 8.244 HA :: 4.29 HB2 :: 1.8 HB3 :: 1.73 HG2 :: 1.51 HG3 :: 1.51 HD2 :: 3.12 HD3 :: 3.12 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.755 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 Y 0.31 F 0.28 E 0.03 C Shift Assignments>> C :: 177.659 CA :: 59.9 CB :: 38.78 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 :: 8.117 HA :: 4.42 HB2 :: 3.13 HB3 :: 3.13 HD1 :: 7.25 HD2 :: 7.25 HE1 :: 7.16 HE2 :: 7.16 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 :: 120.14 Ave N Shift Values>> N :: 120.69(4.18) M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 A 0.2 C Shift Assignments>> C :: 177.307 CA :: 55.83 CB :: 31.03 CG :: 32.67 CE :: 16.9 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 :: 8.324 HA :: 4.47 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 2.63 HG3 :: 2.48 HE :: 1.9 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 :: 119.406 Ave N Shift Values>> N :: 120.1(3.88) D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 D 0.15 L 0.14 K 0.11 I 0.04 N 0.03 R 0.01 C Shift Assignments>> C :: 178.731 CA :: 56.9 CB :: 40.454 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 :: 8.144 HA :: 4.55 HB2 :: 2.75 HB3 :: 2.75 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 :: 121.119 Ave N Shift Values>> N :: 120.73(4.2) E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.3 K 0.11 Q 0.03 M 0.03 C Shift Assignments>> C :: 178.515 CA :: 58.876 CB :: 29.248 CG :: 36.543 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 :: 8.315 HA :: 4.1 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.38 HG3 :: 2.22 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 :: 120.287 Ave N Shift Values>> N :: 120.68(3.68) F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 C Shift Assignments>> C :: 177.09 CA :: 61.305 CB :: 38.64 CD1 :: 132.03 CD2 :: 132.03 CE1 :: 130.23 CE2 :: 130.23 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 :: 8.042 HA :: 4.15 HB2 :: 3 HB3 :: 3 HD1 :: 6.84 HD2 :: 6.84 HE1 :: 6.99 HE2 :: 6.99 HZ :: 7.17 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.608 Ave N Shift Values>> N :: 120.69(4.18) F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.691 CA :: 61.949 CB :: 37.881 CD1 :: 131.47 CD2 :: 131.47 CE1 :: 131.24 CE2 :: 131.24 CZ :: 130.96 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 :: 8.53 HA :: 4.06 HB2 :: 3.22 HB3 :: 3.1 HD1 :: 7.46 HD2 :: 7.46 HE1 :: 7.31 HE2 :: 7.31 HZ :: 7.4 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 :: 117.64 Ave N Shift Values>> N :: 120.69(4.18) E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.31 K 0.13 Q 0.05 M 0.02 C Shift Assignments>> C :: 179.354 CA :: 59.493 CB :: 29.085 CG :: 36.111 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 :: 7.989 HA :: 4.05 HB2 :: 2.22 HB3 :: 2.06 HG2 :: 2.41 HG3 :: 2.22 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 :: 120.867 Ave N Shift Values>> N :: 120.68(3.68) Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.3 E 0.21 I 0.08 R 0.06 M 0.02 HN Overlap>> E68 C Shift Assignments>> C :: 178.91 CA :: 59.237 CB :: 28.52 CG :: 34.31 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 :: 7.78 HA :: 4.06 HB2 :: 2.21 HB3 :: 2.06 HG2 :: 2.49 HG3 :: 2.33 HE21 :: 7.26 HE22 :: 6.73 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 :: 120.287 NE2 :: 114.18 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> V104 C Shift Assignments>> C :: 177.3 CA :: 66.5 CB :: 31.33 CG1 :: 20.98 CG2 :: 23.04 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 :: 8.102 HA :: 3.23 HB :: 2.06 HG1 :: 0.81 HG2 :: 0.3 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 :: 119.406 Ave N Shift Values>> N :: 121.02(4.96) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.18 I 0.18 Q 0.11 M 0.03 C Shift Assignments>> C :: 179.456 CA :: 58.723 CB :: 29.159 CG :: 35.789 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 :: 7.85 HA :: 3.96 HB2 :: 2 HB3 :: 2 HG2 :: 2.23 HG3 :: 2.23 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 :: 118.82 Ave N Shift Values>> N :: 120.68(3.68) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.29 K 0.1 M 0.03 Q 0.02 HN Overlap>> I130 C Shift Assignments>> C :: 178.832 CA :: 58.92 CB :: 29.516 CG :: 36.582 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 :: 7.758 HA :: 3.72 HB2 :: 1.98 HB3 :: 1.98 HG2 :: 2.01 HG3 :: 1.69 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 :: 121.023 Ave N Shift Values>> N :: 120.68(3.68) I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.44 CA :: 65.961 CB :: 37.56 CG1 :: 29.8 CG2 :: 19.49 CD1 :: 14.7 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 :: 8.126 HA :: 3.48 HB :: 1.86 HG2 :: 0.89 HG12 :: 1.97 HG13 :: 0.69 HD1 :: 0.7 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 :: 118.965 Ave N Shift Values>> N :: 121.6(4.72) R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.12 G 0.1 L 0.02 C Shift Assignments>> C :: 178.536 CA :: 60.143 CB :: 29.579 CG :: 27.307 CD :: 42.994 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 :: 8.801 HA :: 3.67 HB2 :: 1.84 HB3 :: 1.84 HG2 :: 1.65 HG3 :: 1.56 HD2 :: 3.16 HD3 :: 3.16 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 :: 120.727 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 177.181 CA :: 47.03 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.897 HA2 :: 3.93 HA3 :: 3.84 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.7 Ave N Shift Values>> N :: 109.91(4.29) F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 F 0.45 HN Overlap>> I111 C Shift Assignments>> C :: 178.199 CA :: 58.439 CB :: 38.643 CD1 :: 132.4 CD2 :: 132.4 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 :: 7.856 HA :: 4.6 HB2 :: 3.24 HB3 :: 2.88 HD1 :: 7.08 HD2 :: 7.08 HE1 :: 7.27 HE2 :: 7.27 HZ :: 7.32 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.755 Ave N Shift Values>> N :: 120.69(4.18) I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.356 CA :: 66.77 CB :: 37.69 CG1 :: 30.9 CG2 :: 18.03 CD1 :: 15.33 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 :: 8.566 HA :: 3.62 HB :: 2.02 HG2 :: 1 HG12 :: 2.03 HG13 :: 0.91 HD1 :: 0.91 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 :: 120.434 Ave N Shift Values>> N :: 121.6(4.72) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.3 D 0.11 I 0.08 L 0.08 N 0.03 K 0.03 E 0.01 HN Overlap>> V145 C Shift Assignments>> C :: 179.053 CA :: 57.35 CB :: 39.718 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 :: 8.374 HA :: 4.48 HB2 :: 2.76 HB3 :: 2.66 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 :: 120.14 Ave N Shift Values>> N :: 120.73(4.2) K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.06 C Shift Assignments>> C :: 178.973 CA :: 58.6 CB :: 31.774 CG :: 24.3 CD :: 28.7 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 :: 7.932 HA :: 4.19 HB2 :: 2.16 HB3 :: 2.07 HG2 :: 1.53 HG3 :: 1.53 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 2.99 HE3 :: 2.99 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 :: 121.955 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> E89 C Shift Assignments>> C :: 177.695 CA :: 66.58 CB :: 37.74 CG1 :: 29.1 CG2 :: 18.86 CD1 :: 14 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 :: 8.379 HA :: 3.52 HB :: 2.16 HG2 :: 0.87 HG12 :: 2.19 HG13 :: 0.86 HD1 :: 0.93 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 :: 119.993 Ave N Shift Values>> N :: 121.6(4.72) A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.26 I 0.07 C Shift Assignments>> C :: 180.65 CA :: 55.806 CB :: 17.951 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.613 HA :: 3.92 HB :: 1.6 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.092 Ave N Shift Values>> N :: 123.23(3.7) E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.21 K 0.14 Q 0.08 M 0.04 C Shift Assignments>> C :: 179.5 CA :: 59.085 CB :: 29.494 CG :: 35.925 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 :: 8.151 HA :: 4.09 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.43 HG3 :: 2.24 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 :: 119.259 Ave N Shift Values>> N :: 120.68(3.68) N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.24 F 0.17 D 0.13 E 0.09 L 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 177.739 CA :: 55.42 CB :: 38.253 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 :: 8.493 HA :: 4.59 HB2 :: 2.96 HB3 :: 2.44 HD21 :: 7.15 HD22 :: 6.69 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.14 ND2 :: 111.59 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.607 CA :: 67.309 CB :: 31.142 CG1 :: 24.574 CG2 :: 21.65 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 :: 9.244 HA :: 3.46 HB :: 2.35 HG1 :: 1.05 HG2 :: 0.97 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 :: 123.193 Ave N Shift Values>> N :: 121.02(4.96) E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.26 K 0.14 Q 0.06 M 0.02 C Shift Assignments>> C :: 179.354 CA :: 59.1 CB :: 29.085 CG :: 36.111 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 :: 7.629 HA :: 4.05 HB2 :: 2.22 HB3 :: 2.22 HG2 :: 2.41 HG3 :: 2.41 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 :: 118.672 Ave N Shift Values>> N :: 120.68(3.68) E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.21 K 0.16 Q 0.08 M 0.03 HN Overlap>> Q51 C Shift Assignments>> C :: 178.714 CA :: 58.819 CB :: 29.177 CG :: 35.962 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 :: 7.739 HA :: 4.18 HB2 :: 2.28 HB3 :: 2.19 HG2 :: 2.37 HG3 :: 2.24 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 :: 120.287 Ave N Shift Values>> N :: 120.68(3.68) V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.29 CA :: 66.95 CB :: 30.86 CG1 :: 25.084 CG2 :: 21.11 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 :: 8.714 HA :: 3.25 HB :: 2.41 HG1 :: 1.02 HG2 :: 0.6 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 :: 122.334 Ave N Shift Values>> N :: 121.02(4.96) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.43 M 0.02 G 0.01 C Shift Assignments>> C :: 180.058 CA :: 60.344 CB :: 32.498 CG :: 26.03 CD :: 30.2 CE :: 41.9 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 :: 8.07 HA :: 3.93 HB2 :: 2.03 HB3 :: 1.97 HG2 :: 1.71 HG3 :: 1.71 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 2.92 HE3 :: 2.81 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 :: 118.231 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.17 K 0.14 HN Overlap>> K141 C Shift Assignments>> C :: 179.948 CA :: 59.66 CB :: 30.47 CG :: 28.23 CD :: 43.52 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 :: 7.723 HA :: 4.08 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 1.86 HG3 :: 1.6 HD2 :: 3.2 HD3 :: 3.2 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 :: 119.406 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 R 0.33 Q 0.12 M 0.03 P 0.02 V 0.02 I 0.01 HN Overlap>> Q134 C Shift Assignments>> C :: 178.626 CA :: 58.903 CB :: 32.465 CG :: 26 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 :: 8.603 HA :: 4.1 HB2 :: 2 HB3 :: 1.88 HG2 :: 1.59 HG3 :: 1.53 HE2 :: 2.92 HE3 :: 2.92 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 :: 121.227 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 177.48 CA :: 58.4 CB :: 30.2 CE1 :: 137.11 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 :: 9.054 HA :: 4.2 HB2 :: 3.27 HB3 :: 3.04 HD1 :: 6.35 HE1 :: 7.63 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.378 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.537 CA :: 61.859 CB :: 62.5 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.97 HA :: 4.05 HB2 :: 3.95 HB3 :: 3.95 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 :: 112.65 Ave N Shift Values>> N :: 116.3(3.95) A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.44 I 0.02 C Shift Assignments>> C :: 180.689 CA :: 54.785 CB :: 18.305 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.782 HA :: 4.19 HB :: 1.55 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.758 Ave N Shift Values>> N :: 123.23(3.7) I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.413 CA :: 64.83 CB :: 38.37 CG1 :: 29.6 CG2 :: 17.66 CD1 :: 14.42 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.286 HA :: 3.79 HB :: 2.03 HG2 :: 1.02 HG12 :: 1.87 HG13 :: 1.08 HD1 :: 0.81 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 :: 119.846 Ave N Shift Values>> N :: 121.6(4.72) L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 K 0.06 A 0.03 G 0.01 C Shift Assignments>> C :: 178.228 CA :: 56.623 CB :: 41.657 CD1 :: 25.45 CD2 :: 22.51 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 :: 8.005 HA :: 4.136 HB2 :: 1.77 HB3 :: 1.46 HG :: 1.78 HD1 :: 0.79 HD2 :: 0.79 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.525 Ave N Shift Values>> N :: 121.98(4.07) A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 177.44 CA :: 52.501 CB :: 19.37 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.439 HA :: 4.3 HB :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.819 Ave N Shift Values>> N :: 123.23(3.7) S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.3 CA :: 55.12 CB :: 64.35 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.36 HA :: 4.87 HB2 :: 3.97 HB3 :: 3.81 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 :: 113.97 Ave N Shift Values>> N :: 116.3(3.95) P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.4 CA :: 63.58 CB :: 31.89 CG :: 27 CD :: 50.51 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 :: 4.47 HB2 :: 2.25 HB3 :: 1.94 HG2 :: 2.01 HG3 :: 2.01 HD2 :: 3.87 HD3 :: 3.72 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) N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.23 Y 0.03 F 0.03 L 0.03 C Shift Assignments>> C :: 171.6 CA :: 50.74 CB :: 39.17 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.87 HA :: 5.13 HB2 :: 2.72 HB3 :: 2.59 HD21 :: 7.56 HD22 :: 6.86 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 ND2 :: 116.44 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.2 CA :: 63.18 CB :: 32.21 CG :: 27.33 CD :: 50.28 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 :: 4.37 HB2 :: 2.32 HB3 :: 1.86 HG2 :: 2.13 HG3 :: 2.07 HD2 :: 3.67 HD3 :: 3.67 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) D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.26 K 0.14 N 0.09 R 0.08 F 0.06 Y 0.04 C Shift Assignments>> C :: 176.395 CA :: 53.38 CB :: 41.858 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 :: 8.443 HA :: 4.63 HB2 :: 2.8 HB3 :: 2.76 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 :: 122.638 Ave N Shift Values>> N :: 120.73(4.2) E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.24 K 0.14 Q 0.07 M 0.04 C Shift Assignments>> C :: 178.642 CA :: 59.146 CB :: 29.382 CG :: 36.014 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 :: 8.765 HA :: 3.96 HB2 :: 2.07 HB3 :: 1.99 HG2 :: 2.36 HG3 :: 2.36 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 :: 124.132 Ave N Shift Values>> N :: 120.68(3.68) K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.06 C Shift Assignments>> C :: 178.53 CA :: 58.676 CB :: 31.72 CG :: 24.44 CD :: 28.9 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 :: 8.429 HA :: 4.13 HB2 :: 1.87 HB3 :: 1.87 HG2 :: 1.45 HG3 :: 1.41 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.99 HE3 :: 2.99 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 :: 120.287 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.626 CA :: 66.3 CB :: 67.7 CG2 :: 22.68 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 :: 7.84 HA :: 4 HB :: 4.05 HG2 :: 1.28 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 :: 116.61 Ave N Shift Values>> N :: 115.7(5.05) K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 M 0.03 C Shift Assignments>> C :: 178.725 CA :: 60.211 CB :: 31.9 CG :: 25.7 CD :: 29.4 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 :: 7.564 HA :: 3.91 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 1.62 HG3 :: 1.42 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 2.92 HE3 :: 2.92 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 :: 120.527 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.26 K 0.14 Q 0.06 M 0.03 HN Overlap>> E92 C Shift Assignments>> C :: 179.445 CA :: 59.086 CB :: 29.139 CG :: 36.091 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 :: 8.146 HA :: 4.08 HB2 :: 2.24 HB3 :: 2.12 HG2 :: 2.44 HG3 :: 2.28 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 :: 120.867 Ave N Shift Values>> N :: 120.68(3.68) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.2 K 0.12 M 0.06 Q 0.06 HN Overlap>> I62 C Shift Assignments>> C :: 179.987 CA :: 58.7 CB :: 29.716 CG :: 36.2 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 :: 8.35 HA :: 4.02 HB2 :: 2.53 HB3 :: 2.53 HG2 :: 2.34 HG3 :: 2.22 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 :: 119.993 Ave N Shift Values>> N :: 120.68(3.68) L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.24 C Shift Assignments>> C :: 177.8 CA :: 58.3 CB :: 45.2 CD1 :: 24.8 CD2 :: 26 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 :: 8.148 HA :: 4.03 HB2 :: 2.08 HB3 :: 1.53 HG :: 1.64 HD1 :: 0.88 HD2 :: 0.84 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 :: 120.581 Ave N Shift Values>> N :: 121.98(4.07) E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.27 K 0.16 Q 0.08 M 0.02 C Shift Assignments>> C :: 179.699 CA :: 59.303 CB :: 28.9 CG :: 35.91 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 HA :: 4.02 HB2 :: 2.13 HB3 :: 2.13 HG2 :: 2.43 HG3 :: 2.33 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 :: 118.97 Ave N Shift Values>> N :: 120.68(3.68) E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.21 K 0.17 Q 0.1 M 0.03 HN Overlap>> E88 C Shift Assignments>> C :: 179.089 CA :: 59.123 CB :: 29.122 CG :: 35.783 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 :: 8.112 HA :: 4.1 HB2 :: 2.1 HB3 :: 2.1 HG2 :: 2.38 HG3 :: 2.28 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 :: 120.867 Ave N Shift Values>> N :: 120.68(3.68) L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 G 0.09 K 0.07 HN Overlap>> D155 C Shift Assignments>> C :: 179.28 CA :: 57.813 CB :: 42.926 CD1 :: 23.8 CD2 :: 25.3 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 :: 7.955 HA :: 4.084 HB2 :: 1.98 HB3 :: 1.34 HG :: 1.73 HD1 :: 0.89 HD2 :: 0.85 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 :: 121.426 Ave N Shift Values>> N :: 121.98(4.07) M94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 I 0.02 C Shift Assignments>> C :: 179.14 CA :: 59.532 CB :: 32.63 CG :: 31.88 CE :: 16.5 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 :: 8.39 HA :: 3.99 HB2 :: 2.28 HB3 :: 2.18 HG2 :: 2.8 HG3 :: 2.8 HE :: 2.03 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.91 Ave N Shift Values>> N :: 120.1(3.88) S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.608 CA :: 61.49 CB :: 62.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.2 HA :: 4.21 HB2 :: 4.03 HB3 :: 4.03 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.02 Ave N Shift Values>> N :: 116.3(3.95) D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.22 Y 0.17 L 0.16 D 0.09 R 0.06 I 0.04 N 0.01 HN Overlap>> K107 C Shift Assignments>> C :: 179.965 CA :: 57.53 CB :: 41.225 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 :: 8.23 HA :: 4.4 HB2 :: 2.79 HB3 :: 2.67 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.168 Ave N Shift Values>> N :: 120.73(4.2) I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.76 CA :: 66.397 CB :: 38.23 CG1 :: 30.8 CG2 :: 16.36 CD1 :: 14.7 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 :: 8.549 HA :: 3.51 HB :: 1.7 HG2 :: 0.22 HG12 :: 1.83 HG13 :: 0.81 HD1 :: 0.52 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.531 Ave N Shift Values>> N :: 121.6(4.72) K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.37 G 0.02 M 0.01 C Shift Assignments>> C :: 179.16 CA :: 59.858 CB :: 31.99 CG :: 24.93 CD :: 28.7 CE :: 42.3 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 :: 7.79 HA :: 3.86 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 1.57 HG3 :: 1.37 HD3 :: 1.74 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 :: 119.11 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 M 0.03 C Shift Assignments>> C :: 180.099 CA :: 59.52 CB :: 32.37 CG :: 25.35 CD :: 29.2 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 :: 8.19 HA :: 4.06 HB2 :: 1.94 HB3 :: 1.83 HG2 :: 1.58 HG3 :: 1.38 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 2.92 HE3 :: 2.92 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 :: 118.525 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.888 CA :: 67.1 CB :: 67.7 CG2 :: 22.361 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 :: 8.495 HA :: 3.53 HB :: 4.03 HG2 :: 1.1 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 :: 118.525 Ave N Shift Values>> N :: 115.7(5.05) A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.27 I 0.06 C Shift Assignments>> C :: 179.22 CA :: 55.695 CB :: 17.989 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.358 HA :: 4.04 HB :: 1.7 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.527 Ave N Shift Values>> N :: 123.23(3.7) N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 E 0.18 F 0.17 N 0.15 D 0.07 I 0.05 M 0.04 L 0.02 K 0.01 C Shift Assignments>> C :: 178.055 CA :: 56.024 CB :: 37.757 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.89 HA :: 4.49 HB2 :: 2.9 HB3 :: 2.86 HD21 :: 7.68 HD22 :: 6.94 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 :: 116.02 ND2 :: 115.81 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.2 M 0.04 C Shift Assignments>> C :: 178.577 CA :: 59.237 CB :: 31.899 CG :: 24.9 CD :: 29.5 CE :: 41.4 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 :: 7.39 HA :: 4.04 HB2 :: 1.68 HB3 :: 1.57 HG2 :: 1.45 HG3 :: 1.14 HD2 :: 1.4 HD3 :: 1.21 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 :: 121.387 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> V52 C Shift Assignments>> C :: 176.957 CA :: 67.455 CB :: 31.18 CG1 :: 25.21 CG2 :: 20.76 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 :: 8.13 HA :: 3.14 HB :: 1.65 HG1 :: 0.94 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 :: 119.406 Ave N Shift Values>> N :: 121.02(4.96) R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.16 G 0.15 HN Overlap>> K132 C Shift Assignments>> C :: 179.41 CA :: 60.097 CB :: 30.352 CG :: 28.293 CD :: 43.318 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 :: 8.436 HA :: 3.69 HB2 :: 1.97 HB3 :: 1.97 HG2 :: 1.89 HG3 :: 1.68 HD2 :: 3.34 HD3 :: 3.34 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 :: 118.378 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> T152 C Shift Assignments>> C :: 177.228 CA :: 61.2 CB :: 62.41 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.83 HA :: 4.21 HB2 :: 3.99 HB3 :: 3.99 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 :: 113.67 Ave N Shift Values>> N :: 116.3(3.95) K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 V 0.19 M 0.14 R 0.13 E 0.1 Q 0.09 H 0.08 I 0.02 P 0.01 HN Overlap>> D96 C Shift Assignments>> C :: 179.902 CA :: 59.208 CB :: 32.489 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 :: 8.218 HA :: 4.19 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.41 HG3 :: 1.41 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.94 HE3 :: 2.82 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 :: 123.168 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 K 0.32 C Shift Assignments>> C :: 179.259 CA :: 58.089 CB :: 41.213 CD1 :: 23.1 CD2 :: 26.24 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 :: 8.912 HA :: 4.1 HB2 :: 1.97 HB3 :: 1.47 HG :: 1.66 HD1 :: 0.72 HD2 :: 0.57 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 :: 119.7 Ave N Shift Values>> N :: 121.98(4.07) K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 HN Overlap>> Q153 C Shift Assignments>> C :: 178.48 CA :: 58.253 CB :: 31.4 CG :: 24.24 CD :: 28.2 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 :: 7.972 HA :: 4.22 HB2 :: 2.02 HB3 :: 1.98 HG2 :: 1.51 HG3 :: 1.51 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 2.93 HE3 :: 2.93 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 :: 120.58 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.905 CA :: 62 CB :: 61.84 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.89 HA :: 4.3 HB2 :: 4.04 HB3 :: 4.04 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 :: 115.14 Ave N Shift Values>> N :: 116.3(3.95) I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> F58 L128 C Shift Assignments>> C :: 177.954 CA :: 64.987 CB :: 38.2 CG1 :: 28.5 CG2 :: 17.85 CD1 :: 13.5 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 :: 7.807 HA :: 3.91 HB :: 2.11 HG2 :: 1.08 HG12 :: 1.92 HG13 :: 1.29 HD1 :: 0.72 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 :: 121.755 Ave N Shift Values>> N :: 121.6(4.72) E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.24 K 0.14 Q 0.08 M 0.04 C Shift Assignments>> C :: 178.4 CA :: 59.62 CB :: 29.52 CG :: 35.8 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 :: 8.383 HA :: 3.36 HB2 :: 2.23 HB3 :: 1.88 HG2 :: 2.06 HG3 :: 2 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 :: 123.012 Ave N Shift Values>> N :: 120.68(3.68) Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.3 E 0.22 I 0.07 R 0.06 M 0.02 C Shift Assignments>> C :: 178.43 CA :: 58.703 CB :: 28.34 CG :: 34.394 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 :: 8.49 HA :: 4.08 HB2 :: 2.22 HB3 :: 2.07 HG2 :: 2.54 HG3 :: 2.38 HE21 :: 7.5 HE22 :: 6.8 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.08 NE2 :: 114.81 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.729 CA :: 61.325 CB :: 62.567 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.78 HA :: 4.27 HB2 :: 4.03 HB3 :: 4.03 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 :: 115.88 Ave N Shift Values>> N :: 116.3(3.95) I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.1 CA :: 65.11 CB :: 38.1 CG1 :: 29.3 CG2 :: 17.52 CD1 :: 14.3 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 :: 7.861 HA :: 3.54 HB :: 1.89 HG2 :: 0.8 HG12 :: 1.74 HG13 :: 0.69 HD1 :: 0.62 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.978 Ave N Shift Values>> N :: 121.6(4.72) E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.22 K 0.14 Q 0.06 M 0.04 HN Overlap>> R123 C Shift Assignments>> C :: 179.4 CA :: 58.73 CB :: 29.4 CG :: 36.2 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 :: 4.05 HB2 :: 2.05 HB3 :: 2.63 HG2 :: 2.38 HG3 :: 2.38 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 :: 119.112 Ave N Shift Values>> N :: 120.68(3.68) Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 E 0.16 R 0.09 M 0.04 I 0.02 HN Overlap>> S125 C Shift Assignments>> C :: 178.005 CA :: 57.892 CB :: 28.511 CG :: 33.897 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 :: 7.972 HA :: 4.08 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 2.43 HG3 :: 2.38 HE21 :: 7.44 HE22 :: 6.77 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.084 NE2 :: 114.69 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.2 K 0.11 M 0.07 Q 0.04 C Shift Assignments>> C :: 178.605 CA :: 58.437 CB :: 29.826 CG :: 36.373 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 :: 7.823 HA :: 4.05 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.26 HG3 :: 2.21 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 :: 119.846 Ave N Shift Values>> N :: 120.68(3.68) E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.31 K 0.07 M 0.03 Q 0.01 C Shift Assignments>> C :: 178.764 CA :: 58.69 CB :: 29.611 CG :: 36.944 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 :: 8.564 HA :: 3.97 HB2 :: 2.09 HB3 :: 1.98 HG2 :: 2.35 HG3 :: 2.17 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 :: 120.727 Ave N Shift Values>> N :: 120.68(3.68) G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 174.644 CA :: 45.892 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.017 HA2 :: 3.92 HA3 :: 3.88 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.7 Ave N Shift Values>> N :: 109.91(4.29) L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 A 0.07 G 0.03 K 0.02 C Shift Assignments>> C :: 177.11 CA :: 55.065 CB :: 42.391 CD1 :: 25.11 CD2 :: 22.67 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 :: 7.49 HA :: 4.34 HB2 :: 1.7 HB3 :: 1.55 HD1 :: 0.86 HD2 :: 0.83 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 :: 119.993 Ave N Shift Values>> N :: 121.98(4.07) N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.12 Y 0.11 F 0.07 E 0.06 M 0.02 L 0.01 C Shift Assignments>> C :: 174.726 CA :: 53.51 CB :: 37.794 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 :: 8.19 HA :: 4.56 HB2 :: 2.95 HB3 :: 2.71 HD21 :: 7.58 HD22 :: 6.84 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 :: 116.32 ND2 :: 115.53 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.19 G 0.09 L 0.01 HN Overlap>> E116 C Shift Assignments>> C :: 176.07 CA :: 56.192 CB :: 30.763 CG :: 27.053 CD :: 43.247 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 :: 8.024 HA :: 4.33 HB2 :: 1.83 HB3 :: 1.73 HG2 :: 1.57 HG3 :: 1.57 HD2 :: 3.11 HD3 :: 3.11 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 :: 119.112 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.41 CA :: 57.63 CB :: 63.29 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.33 HA :: 4.47 HB2 :: 3.89 HB3 :: 3.83 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 :: 115.44 Ave N Shift Values>> N :: 116.3(3.95) S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> Q117 C Shift Assignments>> C :: 175.64 CA :: 58.27 CB :: 63.83 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.02 HA :: 4.4 HB2 :: 4.05 HB3 :: 3.9 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 :: 118.08 Ave N Shift Values>> N :: 116.3(3.95) A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.02 C Shift Assignments>> C :: 179.51 CA :: 54.903 CB :: 18.44 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.79 HA :: 4.11 HB :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.24 Ave N Shift Values>> N :: 123.23(3.7) D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.19 Y 0.19 L 0.16 K 0.12 N 0.05 I 0.03 R 0.01 C Shift Assignments>> C :: 177.935 CA :: 56.35 CB :: 40.558 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 :: 8.08 HA :: 4.41 HB2 :: 2.74 HB3 :: 2.61 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 :: 117.49 Ave N Shift Values>> N :: 120.73(4.2) L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 K 0.16 HN Overlap>> I111 C Shift Assignments>> C :: 178.3 CA :: 57.761 CB :: 41.581 CD1 :: 24.6 CD2 :: 25.3 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 :: 7.721 HA :: 3.86 HB2 :: 1.75 HB3 :: 1.62 HG :: 1.59 HD1 :: 0.9 HD2 :: 0.88 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 :: 121.755 Ave N Shift Values>> N :: 121.98(4.07) R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.13 K 0.09 L 0.02 C Shift Assignments>> C :: 179.456 CA :: 59.5 CB :: 29.6 CG :: 27.42 CD :: 43.3 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 :: 7.76 HA :: 3.96 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 1.77 HG3 :: 1.59 HD2 :: 3.2 HD3 :: 3.2 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 :: 118.08 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> E54 C Shift Assignments>> C :: 178.24 CA :: 64.5 CB :: 37.8 CG1 :: 29.07 CG2 :: 17.7 CD1 :: 13.03 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 :: 7.758 HA :: 3.86 HB :: 2.03 HG2 :: 1.07 HG12 :: 1.79 HG13 :: 1.29 HD1 :: 0.99 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 :: 121.023 Ave N Shift Values>> N :: 121.6(4.72) R131 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.67 G 0.26 K 0.04 C Shift Assignments>> C :: 178.474 CA :: 59.8 CB :: 30.2 CG :: 26.9 CD :: 43.829 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 :: 7.811 HA :: 3.83 HB2 :: 1.14 HB3 :: 1.14 HG2 :: 1.3 HG3 :: -0.23(S) HD2 :: 2.57 HD3 :: 2.46 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 :: 119.259 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 M 0.03 HN Overlap>> R105 C Shift Assignments>> C :: 179.68 CA :: 60.19 CB :: 32.682 CG :: 26.1 CD :: 29.7 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 :: 8.546 HA :: 4.02 HB2 :: 1.93 HB3 :: 1.8 HG2 :: 1.63 HG3 :: 1.48 HD2 :: 1.66 HD3 :: 1.66 HE2 :: 2.84 HE3 :: 2.84 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 :: 118.378 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.355 CA :: 66.569 CB :: 68.65 CG2 :: 21.5 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 :: 8.41 HA :: 4.08 HB :: 4.38 HG2 :: 1.28 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 115.7(5.05) Q134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.14 R 0.11 I 0.05 M 0.02 P 0.01 HN Overlap>> K72 C Shift Assignments>> C :: 178.212 CA :: 58.905 CB :: 28.055 CG :: 33.892 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 :: 8.54 HA :: 4.2 HB2 :: 2.35 HB3 :: 2.31 HG2 :: 2.78 HG3 :: 2.44 HE21 :: 7.32 HE22 :: 6.86 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 :: 121.317 NE2 :: 114.35 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 177.99 CA :: 62.37 CB :: 31.3 CE1 :: 138.72 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 :: 8.763 HA :: 3.92 HB2 :: 3.31 HB3 :: 3.1 HE1 :: 7.63 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.965 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.107 CA :: 61.51 CB :: 61.9 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.63 HA :: 4.14 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 :: 116.02 Ave N Shift Values>> N :: 116.3(3.95) T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> V143 C Shift Assignments>> C :: 176.77 CA :: 66.44 CB :: 68.76 CG2 :: 21.31 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 :: 8.338 HA :: 3.96 HB :: 4.28 HG2 :: 1.26 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 :: 118.672 Ave N Shift Values>> N :: 115.7(5.05) L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 G 0.11 K 0.04 A 0.02 C Shift Assignments>> C :: 178.27 CA :: 57.655 CB :: 42.909 CD1 :: 25.9 CD2 :: 22.02 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 :: 8.2 HA :: 3.95 HB2 :: 1.82 HB3 :: 1.19 HG :: 1.95 HD1 :: 0.84 HD2 :: 0.81 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 :: 121.608 Ave N Shift Values>> N :: 121.98(4.07) S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.865 CA :: 62.45 CB :: 62.5 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.26 HA :: 4.03 HB2 :: 3.78 HB3 :: 3.78 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 :: 113.67 Ave N Shift Values>> N :: 116.3(3.95) R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.12 G 0.11 L 0.03 C Shift Assignments>> C :: 178.543 CA :: 59.3 CB :: 29.5 CG :: 27.2 CD :: 43.24 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 :: 7.994 HA :: 4.05 HB2 :: 1.95 HB3 :: 1.95 HG2 :: 1.78 HG3 :: 1.63 HD2 :: 3.19 HD3 :: 3.19 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 :: 120.434 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.06 HN Overlap>> R71 C Shift Assignments>> C :: 178.345 CA :: 58.455 CB :: 31.96 CG :: 24.93 CD :: 29.1 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 :: 7.814 HA :: 4.19 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 1.55 HG3 :: 1.55 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 2.86 HE3 :: 2.86 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 :: 119.406 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 Y 0.4 C Shift Assignments>> C :: 176.459 CA :: 59.73 CB :: 38.861 CD1 :: 131.13 CD2 :: 131.13 CE1 :: 130.73 CE2 :: 130.73 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 :: 8.496 HA :: 4.403 HB2 :: 3.26 HB3 :: 3.15 HD1 :: 7.16 HD2 :: 7.16 HE1 :: 7.27 HE2 :: 7.27 HZ :: 7.32 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 :: 118.965 Ave N Shift Values>> N :: 120.69(4.18) V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> T137 C Shift Assignments>> C :: 179.4 CA :: 66.482 CB :: 31.4 CG1 :: 23.01 CG2 :: 21.02 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 :: 8.344 HA :: 3.32 HB :: 2.2 HG1 :: 1.08 HG2 :: 0.9 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 :: 118.672 Ave N Shift Values>> N :: 121.02(4.96) E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.36 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.813 CA :: 59.781 CB :: 29.447 CG :: 36.398 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 :: 8.2 HA :: 4.02 HB2 :: 2.26 HB3 :: 2.18 HG2 :: 2.49 HG3 :: 2.24 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 :: 121.46 Ave N Shift Values>> N :: 120.68(3.68) V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> D60 C Shift Assignments>> C :: 178.35 CA :: 65.648 CB :: 31.883 CG1 :: 23.055 CG2 :: 21.29 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 :: 8.268 HA :: 4.03 HB :: 2.18 HG1 :: 1.14 HG2 :: 1.07 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 :: 120.14 Ave N Shift Values>> N :: 121.02(4.96) M146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 A 0.23 I 0.01 C Shift Assignments>> C :: 179.945 CA :: 55.566 CB :: 28.57 CG :: 32.36 CE :: 15.8 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 :: 8.18 HA :: 4.66 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.93 HG3 :: 1.65 HE :: 1.78 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.08 Ave N Shift Values>> N :: 120.1(3.88) S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.341 CA :: 62.24 CB :: 61.88 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.497 HA :: 4.32 HB2 :: 4.04 HB3 :: 4.04 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 :: 118.231 Ave N Shift Values>> N :: 116.3(3.95) E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 K 0.2 I 0.18 Q 0.13 M 0.03 R 0.01 C Shift Assignments>> C :: 179.53 CA :: 58.99 CB :: 28.966 CG :: 35.59 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 :: 7.732 HA :: 4.23 HB2 :: 2.27 HB3 :: 2.18 HG2 :: 2.3 HG3 :: 2.3 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 :: 123.861 Ave N Shift Values>> N :: 120.68(3.68) Y149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.464 CA :: 60.264 CB :: 37.504 CD1 :: 132.79 CD2 :: 132.79 CE1 :: 118.19 CE2 :: 118.19 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 :: 8.396 HA :: 4.25 HB2 :: 3.24 HB3 :: 3.18 HD1 :: 6.99 HD2 :: 6.99 HE1 :: 6.66 HE2 :: 6.66 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 :: 121.005 Ave N Shift Values>> N :: 120.79(4.69) N150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.18 N 0.16 E 0.16 D 0.08 I 0.05 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 177.733 CA :: 56 CB :: 37.877 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 :: 8.8 HA :: 4.13 HB2 :: 2.84 HB3 :: 2.77 HD21 :: 7.57 HD22 :: 6.83 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 :: 119.112 ND2 :: 115.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.4 I 0.03 C Shift Assignments>> C :: 179.76 CA :: 54.86 CB :: 17.88 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.011 HA :: 4.15 HB :: 1.5 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.926 Ave N Shift Values>> N :: 123.23(3.7) T152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> S106 C Shift Assignments>> C :: 175.999 CA :: 65.239 CB :: 68.893 CG2 :: 21.484 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 :: 7.85 HA :: 4.203 HB :: 4.26 HG2 :: 1.32 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 :: 113.67 Ave N Shift Values>> N :: 115.7(5.05) Q153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.18 R 0.07 M 0.06 I 0.02 HN Overlap>> K109 C Shift Assignments>> C :: 177.6 CA :: 57.979 CB :: 29.138 CG :: 33.87 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 :: 7.903 HA :: 4.03 HB2 :: 1.95 HB3 :: 1.89 HG2 :: 2.04 HG3 :: 1.97 HE21 :: 6.61 HE22 :: 6.53 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 :: 120.53 NE2 :: 113.79 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.596 CA :: 60.791 CB :: 62.667 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.02 HA :: 4.136 HB2 :: 3.89 HB3 :: 3.89 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 :: 115.29 Ave N Shift Values>> N :: 116.3(3.95) D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.21 D 0.16 F 0.15 Y 0.12 R 0.07 N 0.02 I 0.01 HN Overlap>> L93 C Shift Assignments>> C :: 176.98 CA :: 56.25 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 :: 7.957 HA :: 4.4 HB2 :: 2.69 HB3 :: 2.65 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 :: 121.462 Ave N Shift Values>> N :: 120.73(4.2) Y156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.194 CA :: 59.866 CB :: 38.058 CD1 :: 132.62 CD2 :: 132.62 CE1 :: 117.84 CE2 :: 117.84 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 :: 7.839 HA :: 4.11 HB2 :: 2.66 HB3 :: 2.54 HD1 :: 6.77 HD2 :: 6.77 HE1 :: 6.64 HE2 :: 6.64 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 120.79(4.69) R157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.19 G 0.09 L 0.01 C Shift Assignments>> C :: 177.584 CA :: 57.721 CB :: 30.354 CG :: 27.288 CD :: 43.198 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 :: 8.001 HA :: 3.85 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.66 HG3 :: 1.53 HD2 :: 3.14 HD3 :: 3.14 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 :: 120.14 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 K 0.17 I 0.11 Q 0.1 M 0.08 C Shift Assignments>> C :: 177.474 CA :: 57.462 CB :: 29.677 CG :: 36.025 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 :: 7.969 HA :: 4.084 HB2 :: 2.03 HB3 :: 2.03 HG2 :: 2.27 HG3 :: 2.27 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 :: 118.672 Ave N Shift Values>> N :: 120.68(3.68) R159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.23 G 0.11 C Shift Assignments>> C :: 176.43 CA :: 56.559 CB :: 31.152 CG :: 27.439 CD :: 43.384 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 :: 7.901 HA :: 4.26 HB2 :: 1.87 HB3 :: 1.62 HG2 :: 1.71 HG3 :: 1.62 HD2 :: 3.11 HD3 :: 3.11 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 :: 118.378 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.29 CA :: 58.35 CB :: 63.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.83 HA :: 4.28 HB2 :: 3.69 HB3 :: 3.54 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 :: 115.58 Ave N Shift Values>> N :: 116.3(3.95) K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.06 C Shift Assignments>> C :: 181.1 CA :: 57.7 CB :: 33.4 CG :: 24.767 CD :: 29.3 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 :: 7.57 HA :: 4.07 HB2 :: 1.77 HB3 :: 1.7 HG2 :: 1.37 HG3 :: 1.37 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.94 HE3 :: 2.94 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 :: 127.83 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 160 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 120 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 41 Shift Relative Order (SRO) Results: #Consistent: 161 #Suspicious: 0 C Shift Results: #Consistent: 518 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 747 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 128 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: R131 HG3 = -0.23(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.0320e-11