Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.04 V 0.03 A 0.02 HN Overlap>> 1.Q135 1.L57 1.A226 1.F224 1.K202 1.Q135 1.L57 1.A226 1.F224 1.K202 1.K124 1.K26 1.K124 1.K26 C Shift Assignments>> CA :: 57.418 CB :: 32.409 CG :: 21.877 CD :: 25.989 CE :: 39.006 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 :: 8.167 HA :: 4.262 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 1.530 HG3 :: 1.530 HD2 :: 1.821 HD3 :: 1.821 HE2 :: 3.105 HE3 :: 3.105 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 :: 120.170 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 M 0.04 V 0.03 A 0.02 HN Overlap>> 1.Y164 1.Y164 C Shift Assignments>> C :: 175.673 CA :: 57.713 CB :: 32.580 CG :: 21.833 CD :: 26.063 CE :: 38.956 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 :: 8.087 HA :: 4.335 HB2 :: 1.800 HB3 :: 1.817 HG2 :: 1.440 HG3 :: 1.426 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 3.040 HE3 :: 3.040 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 :: 119.136 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.21 I 0.12 E 0.04 D 0.03 L 0.02 N 0.01 C Shift Assignments>> CA :: 58.023 CB :: 38.885 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 :: 8.128 HA :: 4.671 HB2 :: 3.389 HB3 :: 3.237 HD1 :: 7.354 HD2 :: 7.354 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 :: 118.867 Ave N Shift Values>> N :: 120.69(4.18) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.04 A 0.03 V 0.02 HN Overlap>> 1.V195 1.Q135 1.A226 1.K202 1.K23 1.E208 1.V195 1.Q135 1.A226 1.K202 1.K23 1.E208 C Shift Assignments>> CA :: 57.116 CB :: 32.338 CG :: 22.121 CD :: 26.046 CE :: 39.024 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 :: 4.329 HB2 :: 1.999 HB3 :: 1.963 HG2 :: 1.562 HG3 :: 1.562 HD2 :: 1.827 HD3 :: 1.816 HE2 :: 3.108 HE3 :: 3.108 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 :: 120.224 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T40 1.S157 1.M143 1.T40 1.S157 1.M143 1.N43 1.N43 C Shift Assignments>> CA :: 59.583 CB :: 63.663 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.138 HA :: 4.525 HB2 :: 4.037 HB3 :: 3.971 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 :: 114.635 Ave N Shift Values>> N :: 116.3(3.95) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.239 CA :: 62.860 CB :: 69.259 CG2 :: 18.650 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 :: 8.105 HA :: 4.341 HB :: 4.245 HG1 :: 4.371 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.193 Ave N Shift Values>> N :: 115.7(5.05) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.11 D 0.04 L 0.03 E 0.03 N 0.01 C Shift Assignments>> C :: 173.151 CA :: 57.977 CB :: 39.129 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 :: 8.106 HA :: 4.719 HB2 :: 3.183 HB3 :: 3.034 HD2 :: 7.174 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 :: 121.365 Ave N Shift Values>> N :: 120.79(4.69) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.145 CA :: 58.436 CB :: 64.179 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.234 HA :: 4.515 HB2 :: 4.059 HB3 :: 3.950 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 :: 116.428 Ave N Shift Values>> N :: 116.3(3.95) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.34 L 0.04 R 0.03 C Shift Assignments>> CA :: 56.043 CB :: 30.263 CG :: 24.241 CD :: 40.366 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 :: 8.373 HA :: 4.421 HB2 :: 2.049 HB3 :: 1.942 HG2 :: 1.812 HG3 :: 1.799 HD2 :: 3.339 HD3 :: 3.339 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.452 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T140 1.T140 C Shift Assignments>> C :: 172.751 CA :: 59.198 CB :: 63.751 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.428 HA :: 4.603 HB2 :: 4.088 HB3 :: 4.019 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.365 Ave N Shift Values>> N :: 116.3(3.95) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S211 1.S210 1.F275 1.S211 1.S210 1.F275 1.D179 1.D179 C Shift Assignments>> CA :: 60.084 CB :: 63.159 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.376 HA :: 4.486 HB2 :: 4.082 HB3 :: 4.031 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.383 Ave N Shift Values>> N :: 116.3(3.95) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.37 I 0.04 HN Overlap>> 1.V37 1.V37 C Shift Assignments>> C :: 173.614 CA :: 64.066 CB :: 31.734 CG1 :: 18.610 CG2 :: 18.840 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 :: 7.947 HA :: 4.014 HB :: 2.305 HG11 :: 1.121 HG12 :: 1.121 HG13 :: 1.121 HG21 :: 1.072 HG22 :: 1.072 HG23 :: 1.072 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 :: 119.299 Ave N Shift Values>> N :: 121.02(4.96) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 D 0.17 Y 0.16 C 0.14 L 0.14 K 0.1 N 0.04 I 0.02 R 0.01 HN Overlap>> 1.V158 1.L49 1.V158 1.L49 1.L128 1.L128 C Shift Assignments>> CA :: 56.272 CB :: 40.497 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 :: 8.105 HA :: 4.675 HB2 :: 2.914 HB3 :: 2.875 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 :: 120.682 Ave N Shift Values>> N :: 120.73(4.2) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.26 I 0.02 HN Overlap>> 1.V35 1.L274 1.V35 1.L274 1.Y256 1.Y256 C Shift Assignments>> CA :: 64.436 CB :: 32.036 CG1 :: 19.246 CG2 :: 18.610 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 :: 7.986 HA :: 4.060 HB :: 2.323 HG11 :: 1.159 HG12 :: 1.159 HG13 :: 1.159 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 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 :: 119.342 Ave N Shift Values>> N :: 121.02(4.96) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 L 0.13 A 0.04 G 0.01 HN Overlap>> 1.V158 1.L49 1.V158 1.L49 C Shift Assignments>> CA :: 57.720 CB :: 41.761 CG :: 24.187 CD1 :: 22.105 CD2 :: 21.584 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 :: 8.037 HA :: 4.331 HB2 :: 1.908 HB3 :: 1.859 HG :: 1.859 HD11 :: 1.037 HD12 :: 1.037 HD13 :: 1.037 HD21 :: 0.956 HD22 :: 0.956 HD23 :: 0.956 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 :: 120.588 Ave N Shift Values>> N :: 121.98(4.07) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 Y 0.24 F 0.23 C 0.19 E 0.02 HN Overlap>> 1.D99 1.M240 1.K142 1.D99 1.M240 1.K142 C Shift Assignments>> CA :: 60.074 CB :: 38.888 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.137 HA :: 4.499 HB2 :: 3.387 HB3 :: 3.288 HD1 :: 7.350 HD2 :: 7.342 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 :: 117.472 Ave N Shift Values>> N :: 120.79(4.69) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.M143 1.S28 1.N43 1.M143 1.S28 1.N43 C Shift Assignments>> CA :: 61.416 CB :: 69.192 CG2 :: 18.989 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 :: 8.056 HA :: 4.317 HB :: 4.193 HG1 :: 4.383 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 114.599 Ave N Shift Values>> N :: 115.7(5.05) 1.F41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Q135 1.L236 1.A226 1.K202 1.Q135 1.L236 1.A226 1.K202 1.L47 1.L47 H Shift Assignments>> H :: 8.113 HA :: 4.626 HB2 :: 3.356 HB3 :: 3.243 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 :: 120.346 Ave N Shift Values>> N :: 120.69(4.18) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.46 C 0.02 I 0.02 C Shift Assignments>> CA :: 54.479 CB :: 18.237 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.163 HA :: 4.183 HB1 :: 1.543 HB2 :: 1.543 HB3 :: 1.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.796 Ave N Shift Values>> N :: 123.23(3.7) 1.N43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T40 1.S157 1.M143 1.S28 1.T40 1.S157 1.M143 1.S28 H Shift Assignments>> H :: 8.140 HA :: 4.806 HB2 :: 3.001 HB3 :: 2.832 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.645 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.K142 1.K142 H Shift Assignments>> H :: 8.012 HA :: 4.713 HB2 :: 3.156 HB3 :: 3.115 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.417 Ave N Shift Values>> N :: 119.95(4.79) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.123 CB :: 63.764 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.587 HA :: 4.608 HB2 :: 4.078 HB3 :: 3.995 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 :: 116.949 Ave N Shift Values>> N :: 116.3(3.95) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> CA :: 45.267 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.658 HA2 :: 4.008 HA3 :: 3.908 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.771 Ave N Shift Values>> N :: 109.91(4.29) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 L 0.11 A 0.08 G 0.01 HN Overlap>> 1.L236 1.F123 1.E109 1.K202 1.F41 1.L236 1.F123 1.E109 1.K202 1.F41 C Shift Assignments>> CA :: 57.564 CB :: 41.774 CG :: 24.363 CD1 :: 22.324 CD2 :: 20.796 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 :: 8.131 HA :: 4.225 HB2 :: 1.721 HB3 :: 1.696 HG :: 1.709 HD11 :: 1.055 HD12 :: 1.055 HD13 :: 1.055 HD21 :: 1.036 HD22 :: 1.036 HD23 :: 1.036 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 :: 120.382 Ave N Shift Values>> N :: 121.98(4.07) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 F 0.17 Y 0.15 C 0.15 L 0.13 N 0.07 K 0.07 I 0.02 HN Overlap>> 1.K149 1.K97 1.D174 1.K149 1.K97 1.D174 C Shift Assignments>> CA :: 55.869 CB :: 40.294 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 :: 8.102 HA :: 4.585 HB2 :: 2.919 HB3 :: 2.851 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.673 Ave N Shift Values>> N :: 120.73(4.2) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 L 0.08 A 0.05 HN Overlap>> 1.L38 1.V158 1.L38 1.V158 1.D36 1.D36 C Shift Assignments>> CA :: 57.922 CB :: 41.381 CG :: 24.243 CD1 :: 22.221 CD2 :: 20.912 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 :: 8.036 HA :: 4.263 HB2 :: 1.772 HB3 :: 1.694 HG :: 1.694 HD11 :: 1.000 HD12 :: 1.000 HD13 :: 1.000 HD21 :: 1.000 HD22 :: 1.000 HD23 :: 1.000 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 :: 120.600 Ave N Shift Values>> N :: 121.98(4.07) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 HN Overlap>> 1.K277 1.K277 1.K120 1.K120 C Shift Assignments>> CA :: 62.454 CB :: 38.180 CG1 :: 25.585 CG2 :: 14.782 CD1 :: 10.211 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 :: 7.853 HA :: 4.066 HB :: 2.083 HG12 :: 1.361 HG13 :: 1.353 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 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 :: 117.750 Ave N Shift Values>> N :: 121.6(4.72) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 Y 0.24 F 0.22 C 0.19 E 0.02 HN Overlap>> 1.F111 1.H162 1.F111 1.H162 C Shift Assignments>> CA :: 60.097 CB :: 38.785 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 :: 8.329 HA :: 4.495 HB2 :: 3.390 HB3 :: 3.314 HD1 :: 7.351 HD2 :: 7.351 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 :: 119.412 Ave N Shift Values>> N :: 120.69(4.18) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 HN Overlap>> 1.G167 1.G167 C Shift Assignments>> CA :: 45.150 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.464 HA2 :: 4.093 HA3 :: 3.946 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.263 Ave N Shift Values>> N :: 109.91(4.29) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 L 0.07 A 0.06 G 0.01 C Shift Assignments>> CA :: 57.821 CB :: 41.567 CG :: 24.169 CD1 :: 22.116 CD2 :: 20.924 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 :: 8.431 HA :: 4.238 HB2 :: 1.936 HB3 :: 1.936 HG :: 1.815 HD11 :: 0.996 HD12 :: 0.996 HD13 :: 0.996 HD21 :: 0.996 HD22 :: 0.996 HD23 :: 0.996 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.310 Ave N Shift Values>> N :: 121.98(4.07) 1.N54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.R239 1.R239 H Shift Assignments>> H :: 8.369 HA :: 4.457 HB2 :: 2.953 HB3 :: 2.880 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 :: 116.744 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.02 I 0.01 HN Overlap>> 1.L181 1.I155 1.W230 1.L181 1.I155 1.W230 C Shift Assignments>> CA :: 54.434 CB :: 18.237 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.980 HA :: 4.225 HB1 :: 1.598 HB2 :: 1.598 HB3 :: 1.598 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.118 Ave N Shift Values>> N :: 123.23(3.7) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 L 0.11 A 0.06 G 0.02 HN Overlap>> 1.K145 1.R247 1.K276 1.H161 1.N166 1.Q193 1.K145 1.R247 1.K276 1.H161 1.N166 1.Q193 C Shift Assignments>> CA :: 57.620 CB :: 41.866 CG :: 24.184 CD1 :: 22.114 CD2 :: 21.264 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 :: 8.228 HA :: 4.321 HB2 :: 1.810 HB3 :: 1.703 HG :: 1.703 HD11 :: 0.990 HD12 :: 0.990 HD13 :: 0.990 HD21 :: 0.958 HD22 :: 0.958 HD23 :: 0.958 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 :: 117.635 Ave N Shift Values>> N :: 121.98(4.07) 1.L57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.F224 1.V204 1.K23 1.K124 1.W230 1.F224 1.V204 1.K23 1.K124 1.W230 H Shift Assignments>> H :: 8.121 HA :: 4.187 HB2 :: 1.615 HB3 :: 1.615 HD11 :: 1.009 HD12 :: 1.009 HD13 :: 1.009 HD21 :: 1.009 HD22 :: 1.009 HD23 :: 1.009 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 :: 120.124 Ave N Shift Values>> N :: 121.98(4.07) 1.R58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Q70 1.Q70 1.F250 1.F250 H Shift Assignments>> H :: 7.997 HA :: 4.398 HB2 :: 2.056 HB3 :: 2.015 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.467 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 S 0.01 C Shift Assignments>> CA :: 62.329 CB :: 68.433 CG2 :: 18.571 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 :: 7.881 HA :: 4.406 HB :: 4.246 HG1 :: 4.689 HG21 :: 1.394 HG22 :: 1.394 HG23 :: 1.394 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 :: 111.995 Ave N Shift Values>> N :: 115.7(5.05) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 176.621 CA :: 52.632 CB :: 19.099 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.959 HA :: 4.383 HB1 :: 1.553 HB2 :: 1.553 HB3 :: 1.553 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.214 Ave N Shift Values>> N :: 123.23(3.7) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.18 C 0.17 Y 0.11 F 0.09 L 0.04 E 0.02 HN Overlap>> 1.L148 1.L148 1.N89 1.N89 C Shift Assignments>> CA :: 53.935 CB :: 38.757 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 :: 8.267 HA :: 4.792 HB2 :: 2.999 HB3 :: 2.894 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.001 Ave N Shift Values>> N :: 120.73(4.2) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 A 0.35 L 0.1 G 0.05 C Shift Assignments>> C :: 173.824 CA :: 54.991 CB :: 42.427 CG :: 24.094 CD1 :: 21.841 CD2 :: 21.399 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 :: 7.958 HA :: 4.406 HB2 :: 1.726 HB3 :: 1.534 HG :: 1.509 HD11 :: 0.980 HD12 :: 0.980 HD13 :: 0.980 HD21 :: 0.979 HD22 :: 0.979 HD23 :: 0.979 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 :: 120.897 Ave N Shift Values>> N :: 121.98(4.07) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.2 R 0.18 I 0.17 L 0.16 Q 0.06 C 0.06 K 0.04 H 0.03 W 0.03 E 0.02 HN Overlap>> 1.Y163 1.Y163 1.S121 1.V194 1.S121 1.V194 C Shift Assignments>> CB :: 27.101 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 :: 8.179 HA :: 4.575 HB2 :: 2.112 HB3 :: 2.027 HG2 :: 2.416 HG3 :: 2.239 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 :: 119.582 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Y75 1.F184 1.Y75 1.F184 H Shift Assignments>> H :: 8.505 HA :: 4.730 HB2 :: 3.364 HB3 :: 3.245 HD1 :: 7.294 HE1 :: 10.317 HZ2 :: 7.446 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.619 NE1 :: 129.462 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.N177 1.I183 1.N177 1.I183 H Shift Assignments>> H :: 7.851 HA :: 4.815 HB2 :: 2.974 HB3 :: 2.957 HD21 :: 7.605 HD22 :: 6.922 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 :: 120.113 ND2 :: 112.655 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.32 T 0.2 S 0.18 I 0.14 P 0.11 C 0.01 C Shift Assignments>> CB :: 66.207 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.581 HA :: 4.316 HB2 :: 4.138 HB3 :: 4.061 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 :: 116.562 Ave N Shift Values>> N :: 116.3(3.95) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.977 CB :: 63.481 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.401 HA :: 4.479 HB2 :: 4.097 HB3 :: 4.030 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 :: 118.000 Ave N Shift Values>> N :: 116.3(3.95) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.16 N 0.13 C 0.11 F 0.09 K 0.08 Y 0.08 R 0.01 HN Overlap>> 1.V195 1.E243 1.V195 1.E243 C Shift Assignments>> C :: 175.811 CA :: 54.195 CB :: 40.760 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 :: 8.349 HA :: 4.766 HB2 :: 2.753 HB3 :: 2.746 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 :: 120.321 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.3 C 0.02 HN Overlap>> 1.L266 1.L266 C Shift Assignments>> CA :: 53.494 CB :: 18.933 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.075 HA :: 4.225 HB1 :: 1.555 HB2 :: 1.555 HB3 :: 1.555 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.636 Ave N Shift Values>> N :: 123.23(3.7) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.33 K 0.24 M 0.03 Q 0.02 HN Overlap>> 1.R58 1.F250 1.R58 1.F250 C Shift Assignments>> CA :: 58.530 CB :: 28.082 CG :: 31.004 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 :: 8.011 HA :: 4.040 HB2 :: 2.361 HB3 :: 2.279 HG2 :: 2.622 HG3 :: 2.621 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 :: 116.442 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 L 0.12 A 0.05 G 0.01 HN Overlap>> 1.V133 1.V133 C Shift Assignments>> CA :: 57.806 CB :: 41.777 CG :: 24.160 CD1 :: 22.331 CD2 :: 21.285 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 :: 7.834 HA :: 4.346 HB2 :: 2.035 HB3 :: 2.046 HG :: 1.932 HD11 :: 1.103 HD12 :: 1.103 HD13 :: 1.103 HD21 :: 1.043 HD22 :: 1.043 HD23 :: 1.043 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 :: 118.926 Ave N Shift Values>> N :: 121.98(4.07) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 L 0.15 A 0.04 G 0.01 C Shift Assignments>> CA :: 57.572 CB :: 41.566 CG :: 24.264 CD1 :: 22.102 CD2 :: 21.765 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 :: 7.815 HA :: 4.317 HB2 :: 2.031 HB3 :: 1.921 HG :: 1.781 HD11 :: 1.045 HD12 :: 1.045 HD13 :: 1.045 HD21 :: 1.045 HD22 :: 1.045 HD23 :: 1.045 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 :: 119.056 Ave N Shift Values>> N :: 121.98(4.07) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 L 0.09 A 0.06 G 0.01 HN Overlap>> 1.L219 1.L219 C Shift Assignments>> CA :: 57.646 CB :: 41.628 CG :: 24.049 CD1 :: 22.118 CD2 :: 21.234 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 :: 8.276 HA :: 4.224 HB2 :: 2.039 HB3 :: 1.945 HG :: 1.849 HD11 :: 1.038 HD12 :: 1.038 HD13 :: 1.038 HD21 :: 1.038 HD22 :: 1.038 HD23 :: 1.038 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.802 Ave N Shift Values>> N :: 121.98(4.07) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.22 C 0.18 D 0.13 L 0.08 N 0.05 I 0.04 K 0.02 E 0.01 C Shift Assignments>> CA :: 56.654 CB :: 39.726 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 :: 8.857 HA :: 4.585 HB2 :: 3.033 HB3 :: 2.867 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 :: 121.205 Ave N Shift Values>> N :: 120.73(4.2) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 F 0.18 Y 0.18 C 0.17 E 0.01 HN Overlap>> 1.F184 1.W64 1.F184 1.W64 C Shift Assignments>> CA :: 61.470 CB :: 38.819 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 :: 8.444 HA :: 4.402 HB2 :: 3.416 HB3 :: 3.374 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.697 Ave N Shift Values>> N :: 120.79(4.69) 1.C76 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.18 K 0.14 M 0.12 W 0.11 R 0.1 E 0.08 V 0.08 H 0.07 Q 0.06 I 0.01 C Shift Assignments>> CA :: 58.470 CB :: 32.338 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.631 HA :: 4.071 HB2 :: 3.404 HB3 :: 3.404 HG :: 3.128(A) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.532 Ave N Shift Values>> N :: 119.95(4.79) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.2 V 0.18 P 0.07 C 0.05 F 0.05 Y 0.04 S 0.03 W 0.03 E 0.01 R 0.01 C Shift Assignments>> CA :: 61.544 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.637 HA :: 4.416 HB2 :: 4.210 HB3 :: 4.155 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 :: 115.341 Ave N Shift Values>> N :: 116.3(3.95) 1.S78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.H257 1.H257 H Shift Assignments>> H :: 8.267 HA :: 4.405 HB2 :: 4.111 HB3 :: 4.111 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 :: 118.775 Ave N Shift Values>> N :: 116.3(3.95) 1.K79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.407 HA :: 4.335 HB2 :: 1.570 HB3 :: 1.520 HG2 :: 1.195 HG3 :: 1.143 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 :: 119.364 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> CA :: 45.445 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.797 HA2 :: 4.096 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 :: 106.098 Ave N Shift Values>> N :: 109.91(4.29) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.18 C 0.16 Y 0.09 F 0.08 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.669 CB :: 38.807 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 :: 7.852 HA :: 4.760 HB2 :: 2.999 HB3 :: 2.856 HD1 :: 7.075 HD2 :: 7.075 HE1 :: 6.870 HE2 :: 6.870 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 :: 119.709 Ave N Shift Values>> N :: 120.79(4.69) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.19 C 0.15 Y 0.08 F 0.06 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.188 CB :: 38.885 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 :: 8.579 HA :: 4.866 HB2 :: 2.856 HB3 :: 2.786 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 :: 121.264 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.L266 1.L266 1.A225 1.A225 H Shift Assignments>> H :: 8.189 HA :: 4.247 HB :: 1.887 HG12 :: 1.200 HG13 :: 1.200 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 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 :: 121.684 Ave N Shift Values>> N :: 121.6(4.72) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y164 1.Q113 1.Y164 1.Q113 C Shift Assignments>> CA :: 58.345 CB :: 63.693 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.267 HA :: 4.606 HB2 :: 4.032 HB3 :: 4.004 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.175 Ave N Shift Values>> N :: 116.3(3.95) 1.W85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.14 C 0.11 W 0.11 E 0.1 R 0.1 M 0.04 L 0.03 I 0.01 C Shift Assignments>> CA :: 55.367 CB :: 29.074 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.029 HA :: 4.883 HB2 :: 3.393 HB3 :: 3.254 HD1 :: 7.293 HE1 :: 10.261 HE3 :: 7.607 HZ2 :: 7.484 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.782 NE1 :: 129.243 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.21 K 0.21 M 0.2 R 0.05 E 0.04 HN Overlap>> 1.D222 1.D222 C Shift Assignments>> CA :: 56.050 CB :: 30.348 CG :: 32.665 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 :: 8.300 HA :: 4.498 HB2 :: 2.030 HB3 :: 2.017 HG2 :: 2.333 HG3 :: 2.141 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 :: 121.331 Ave N Shift Values>> N :: 120.68(3.68) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 A 0.39 L 0.09 G 0.03 C Shift Assignments>> C :: 173.173 CA :: 55.257 CB :: 42.177 CG :: 24.161 CD1 :: 22.217 CD2 :: 20.884 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 :: 8.212 HA :: 4.390 HB2 :: 1.768 HB3 :: 1.737 HG :: 1.707 HD11 :: 1.044 HD12 :: 1.044 HD13 :: 1.044 HD21 :: 1.017 HD22 :: 1.017 HD23 :: 1.017 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.732 Ave N Shift Values>> N :: 121.98(4.07) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 HN Overlap>> 1.G201 1.G201 C Shift Assignments>> CA :: 45.205 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.509 HA2 :: 4.095 HA3 :: 4.086 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.517 Ave N Shift Values>> N :: 109.91(4.29) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.18 I 0.16 L 0.03 K 0.02 D 0.02 HN Overlap>> 1.D61 1.N125 1.D61 1.N125 C Shift Assignments>> C :: 176.109 CA :: 59.117 CB :: 39.922 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.275 HA :: 4.695 HB2 :: 2.920 HB3 :: 2.823 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.893 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 Q 0.25 C 0.24 M 0.1 R 0.08 E 0.04 HN Overlap>> 1.L219 1.R138 1.L219 1.R138 1.L107 1.L107 C Shift Assignments>> CA :: 54.561 CB :: 29.253 CG :: 33.013 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 :: 8.358 HA :: 4.725 HB2 :: 2.228 HB3 :: 2.091 HG2 :: 2.452 HG3 :: 2.452 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 :: 120.688 Ave N Shift Values>> N :: 120.68(3.68) 1.P91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.500 HB2 :: 2.345 HB3 :: 2.345 HG2 :: 2.047 HG3 :: 2.034 HD2 :: 3.853 HD3 :: 3.810 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) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.17 C 0.17 Y 0.1 F 0.08 L 0.03 E 0.02 HN Overlap>> 1.M246 1.M246 C Shift Assignments>> CA :: 53.868 CB :: 38.717 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 :: 8.553 HA :: 4.747 HB2 :: 2.975 HB3 :: 2.907 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.113 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.297 CB :: 63.161 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.269 HA :: 4.486 HB2 :: 4.114 HB3 :: 4.015 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 :: 115.617 Ave N Shift Values>> N :: 116.3(3.95) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 Y 0.23 F 0.22 C 0.18 E 0.02 C Shift Assignments>> CA :: 60.342 CB :: 38.946 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 :: 8.581 HA :: 4.486 HB2 :: 3.394 HB3 :: 3.234 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 :: 122.505 Ave N Shift Values>> N :: 120.69(4.18) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 L 0.11 G 0.02 A 0.01 C Shift Assignments>> CA :: 58.680 CB :: 41.775 CG :: 24.405 CD1 :: 22.135 CD2 :: 21.329 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 :: 8.123 HA :: 4.123 HB2 :: 1.830 HB3 :: 1.758 HG :: 1.703 HD11 :: 1.034 HD12 :: 1.034 HD13 :: 1.034 HD21 :: 0.965 HD22 :: 0.965 HD23 :: 0.965 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 :: 118.511 Ave N Shift Values>> N :: 121.98(4.07) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 M 0.04 A 0.03 V 0.02 C Shift Assignments>> CA :: 57.116 CB :: 32.137 CG :: 22.125 CD :: 26.120 CE :: 39.056 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 :: 7.845 HA :: 4.283 HB2 :: 2.021 HB3 :: 1.985 HG2 :: 1.671 HG3 :: 1.650 HD2 :: 1.837 HD3 :: 1.817 HE2 :: 3.112 HE3 :: 3.112 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 :: 118.087 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.03 M 0.03 A 0.02 HN Overlap>> 1.D174 1.D48 1.D174 1.D48 C Shift Assignments>> CA :: 57.720 CB :: 32.338 CG :: 21.933 CD :: 26.063 CE :: 39.056 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 :: 8.116 HA :: 4.271 HB2 :: 1.664 HB3 :: 1.664 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 :: 118.690 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 HN Overlap>> 1.V188 1.V188 1.D156 1.D156 C Shift Assignments>> CA :: 53.792 CB :: 18.338 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.169 HA :: 4.265 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.061 Ave N Shift Values>> N :: 123.23(3.7) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.16 Y 0.15 C 0.15 L 0.13 N 0.07 K 0.07 I 0.02 HN Overlap>> 1.Y39 1.V249 1.Y39 1.V249 1.D182 1.M240 1.D182 1.M240 C Shift Assignments>> CA :: 55.850 CB :: 40.295 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 :: 8.149 HA :: 4.604 HB2 :: 2.910 HB3 :: 2.910 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 :: 117.411 Ave N Shift Values>> N :: 120.73(4.2) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.45 C Shift Assignments>> CA :: 62.720 CB :: 37.878 CG1 :: 25.257 CG2 :: 14.379 CD1 :: 10.552 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 :: 7.818 HA :: 4.042 HB :: 1.972 HG12 :: 1.645 HG21 :: 1.281 HG22 :: 1.281 HG23 :: 1.281 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 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 :: 117.962 Ave N Shift Values>> N :: 121.6(4.72) 1.F101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 I 0.31 C 0.15 F 0.06 Y 0.02 HN Overlap>> 1.K233 1.K233 C Shift Assignments>> CA :: 65.677 CB :: 42.713 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 :: 7.946 HA :: 4.002 HB :: 2.054 HG12 :: 1.692 HG13 :: 1.674 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 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 :: 118.667 Ave N Shift Values>> N :: 121.6(4.72) 1.N103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 171.840 CA :: 45.432 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.284 HA2 :: 4.166 HA3 :: 4.059 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.706 Ave N Shift Values>> N :: 109.91(4.29) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.404 CA :: 58.325 CB :: 63.764 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.016 HA :: 4.625 HB2 :: 4.080 HB3 :: 3.971 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 :: 115.285 Ave N Shift Values>> N :: 116.3(3.95) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 R 0.29 K 0.27 M 0.08 Q 0.03 C Shift Assignments>> CA :: 56.840 CB :: 28.718 CG :: 30.942 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 :: 8.672 HA :: 4.387 HB2 :: 2.249 HB3 :: 2.189 HG2 :: 2.495 HG3 :: 2.479 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 :: 122.376 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 A 0.33 L 0.07 G 0.02 HN Overlap>> 1.L219 1.R138 1.E90 1.L219 1.R138 1.E90 C Shift Assignments>> CA :: 55.841 CB :: 42.046 CG :: 24.055 CD1 :: 22.206 CD2 :: 20.675 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 :: 8.314 HA :: 4.281 HB2 :: 1.794 HB3 :: 1.670 HG :: 1.670 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 HD21 :: 0.971 HD22 :: 0.971 HD23 :: 0.971 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 :: 120.649 Ave N Shift Values>> N :: 121.98(4.07) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 172.537 CA :: 45.323 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.349 HA2 :: 4.098 HA3 :: 3.949 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.562 Ave N Shift Values>> N :: 109.91(4.29) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.37 Q 0.14 E 0.05 K 0.03 HN Overlap>> 1.L236 1.F123 1.L236 1.F123 1.L47 1.L47 C Shift Assignments>> CA :: 56.612 CB :: 32.385 CG :: 33.114 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 :: 8.113 HA :: 4.312 HB2 :: 2.226 HB3 :: 2.226 HG2 :: 2.490 HG3 :: 2.490 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 :: 120.470 Ave N Shift Values>> N :: 120.68(3.68) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.2 F 0.16 N 0.14 D 0.11 E 0.05 L 0.03 I 0.03 M 0.01 HN Overlap>> 1.D132 1.D132 C Shift Assignments>> CA :: 55.774 CB :: 38.601 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 :: 8.472 HA :: 4.582 HB2 :: 3.074 HB3 :: 2.702 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.013 Ave N Shift Values>> N :: 120.73(4.2) 1.F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 Y 0.24 F 0.23 C 0.19 E 0.02 HN Overlap>> 1.L114 1.F51 1.L114 1.F51 1.H162 1.H162 C Shift Assignments>> CA :: 60.026 CB :: 38.930 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 :: 8.399 HA :: 4.486 HB2 :: 3.347 HB3 :: 3.321 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 :: 119.330 Ave N Shift Values>> N :: 120.69(4.18) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> CA :: 63.868 CB :: 37.746 CG1 :: 25.962 CG2 :: 14.581 CD1 :: 10.250 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 :: 8.165 HA :: 3.920 HB :: 2.161 HG12 :: 1.356 HG13 :: 1.356 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 HD11 :: 1.048 HD12 :: 1.048 HD13 :: 1.048 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 :: 119.783 Ave N Shift Values>> N :: 121.6(4.72) 1.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.15 M 0.14 R 0.11 W 0.11 E 0.09 H 0.09 V 0.04 Q 0.04 HN Overlap>> 1.S84 1.Y164 1.S84 1.Y164 C Shift Assignments>> CA :: 57.603 CB :: 32.192 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 :: 8.261 HA :: 4.319 HB2 :: 2.058 HB3 :: 2.047 HG2 :: 2.322 HG3 :: 2.295 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 :: 119.154 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 L 0.11 A 0.05 G 0.02 HN Overlap>> 1.M229 1.M229 1.F111 1.H162 1.F111 1.H162 C Shift Assignments>> C :: 175.804 CA :: 57.699 CB :: 41.940 CG :: 24.153 CD1 :: 22.055 CD2 :: 21.375 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 :: 8.315 HA :: 4.233 HB2 :: 1.804 HB3 :: 1.776 HG :: 1.767 HD11 :: 1.024 HD12 :: 1.024 HD13 :: 1.024 HD21 :: 1.028 HD22 :: 1.028 HD23 :: 1.028 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 :: 119.293 Ave N Shift Values>> N :: 121.98(4.07) 1.H115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Q 0.18 K 0.17 M 0.15 E 0.06 W 0.05 V 0.05 R 0.04 H 0.04 C Shift Assignments>> CA :: 57.669 CB :: 33.668 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 :: 8.478 HA :: 4.289 HB2 :: 3.484 HB3 :: 3.240 HD2 :: 7.350 HE1 :: 7.570 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.887 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.04 V 0.03 A 0.02 HN Overlap>> 1.K277 1.K277 1.L278 1.R119 1.L278 1.R119 C Shift Assignments>> CA :: 57.499 CB :: 31.929 CG :: 21.884 CD :: 25.964 CE :: 38.983 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 :: 7.990 HA :: 4.036 HB2 :: 2.054 HB3 :: 2.003 HG2 :: 1.553 HG3 :: 1.527 HD2 :: 1.820 HD3 :: 1.811 HE2 :: 3.113 HE3 :: 3.113 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.692 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 L 0.09 A 0.05 G 0.02 HN Overlap>> 1.V245 1.V245 C Shift Assignments>> CA :: 57.873 CB :: 41.803 CG :: 24.101 CD1 :: 22.095 CD2 :: 21.283 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 :: 7.952 HA :: 4.263 HB2 :: 1.982 HB3 :: 1.900 HG :: 1.876 HD11 :: 1.050 HD12 :: 1.050 HD13 :: 1.050 HD21 :: 1.042 HD22 :: 1.042 HD23 :: 1.042 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 :: 119.099 Ave N Shift Values>> N :: 121.98(4.07) 1.L118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.33 R 0.03 L 0.03 HN Overlap>> 1.K116 1.L278 1.K116 1.L278 1.N255 1.N255 C Shift Assignments>> CA :: 56.175 CB :: 30.364 CG :: 24.460 CD :: 40.374 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 :: 8.036 HA :: 4.422 HB2 :: 1.927 HG2 :: 1.706 HG3 :: 1.698 HD2 :: 3.317 HD3 :: 3.317 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.692 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.04 A 0.03 V 0.03 HN Overlap>> 1.K277 1.I50 1.K277 1.I50 C Shift Assignments>> CA :: 57.216 CB :: 32.505 CG :: 21.832 CD :: 26.094 CE :: 39.044 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 :: 7.914 HA :: 4.366 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 1.543 HG3 :: 1.543 HD2 :: 1.841 HD3 :: 1.791 HE2 :: 3.127 HE3 :: 3.127 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.799 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 HN Overlap>> 1.Q63 1.Q63 1.R168 1.V194 1.R168 1.V194 C Shift Assignments>> CA :: 65.368 CB :: 66.181 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.085 HA :: 4.547 HB2 :: 4.050 HB3 :: 3.982 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.605 Ave N Shift Values>> N :: 116.3(3.95) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.T140 1.T140 C Shift Assignments>> CA :: 62.622 CB :: 69.258 CG2 :: 18.610 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 :: 8.295 HA :: 4.355 HB :: 4.244 HG1 :: 4.694 HG21 :: 1.223 HG22 :: 1.223 HG23 :: 1.223 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.418 Ave N Shift Values>> N :: 115.7(5.05) 1.F123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.21 I 0.14 E 0.04 D 0.02 L 0.02 N 0.01 HN Overlap>> 1.E109 1.L47 1.E109 1.L47 C Shift Assignments>> CA :: 58.407 CB :: 38.860 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 :: 8.201 HA :: 4.634 HB2 :: 3.340 HB3 :: 3.144 HD1 :: 7.384 HD2 :: 7.368 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 :: 120.470 Ave N Shift Values>> N :: 120.69(4.18) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 M 0.03 V 0.03 A 0.02 HN Overlap>> 1.L57 1.F224 1.V204 1.K23 1.L57 1.F224 1.V204 1.K23 1.W230 1.W230 C Shift Assignments>> C :: 177.282 CA :: 57.579 CB :: 32.439 CG :: 22.073 CD :: 26.055 CE :: 39.056 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 :: 8.138 HA :: 4.368 HB2 :: 1.940 HB3 :: 1.902 HG2 :: 1.517 HG3 :: 1.505 HD2 :: 1.822 HD3 :: 1.757 HE2 :: 3.102 HE3 :: 3.092 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 :: 120.081 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.18 C 0.17 Y 0.1 F 0.08 L 0.04 E 0.01 HN Overlap>> 1.N89 1.N89 C Shift Assignments>> C :: 172.554 CA :: 53.783 CB :: 38.780 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 :: 8.344 HA :: 4.746 HB2 :: 3.023 HB3 :: 2.884 HD21 :: 7.711 HD22 :: 6.984 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.806 ND2 :: 112.345 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.02 C Shift Assignments>> C :: 174.897 CA :: 52.684 CB :: 18.961 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.111 HA :: 4.435 HB1 :: 1.551 HB2 :: 1.551 HB3 :: 1.551 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.405 Ave N Shift Values>> N :: 123.23(3.7) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.08 M 0.04 V 0.01 C Shift Assignments>> C :: 173.897 CA :: 56.206 CB :: 32.423 CG :: 21.933 CD :: 26.045 CE :: 39.019 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 :: 8.186 HA :: 4.358 HB2 :: 1.879 HB3 :: 1.932 HG2 :: 1.530 HG3 :: 1.524 HD2 :: 1.822 HD3 :: 1.804 HE2 :: 3.105 HE3 :: 3.105 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 :: 118.403 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 A 0.41 L 0.07 G 0.04 HN Overlap>> 1.V158 1.D36 1.V158 1.D36 C Shift Assignments>> C :: 173.890 CA :: 55.265 CB :: 42.325 CG :: 24.062 CD1 :: 22.187 CD2 :: 20.805 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.091 HA :: 4.390 HB2 :: 1.633 HB3 :: 1.522 HG :: 1.509 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 HD21 :: 0.916 HD22 :: 0.916 HD23 :: 0.916 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 :: 120.703 Ave N Shift Values>> N :: 121.98(4.07) 1.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 C 0.21 D 0.07 I 0.07 L 0.04 N 0.04 E 0.03 HN Overlap>> 1.F175 1.F175 C Shift Assignments>> C :: 173.041 CA :: 57.160 CB :: 39.091 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 :: 7.880 HA :: 4.764 HB2 :: 3.236 HB3 :: 3.072 HD1 :: 7.236 HD2 :: 7.236 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 :: 117.353 Ave N Shift Values>> N :: 120.79(4.69) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.502 CA :: 44.589 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.118 HA2 :: 4.230 HA3 :: 4.218 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.166 Ave N Shift Values>> N :: 109.91(4.29) 1.P131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB2 :: 2.395 HB3 :: 2.088 HD2 :: 3.764 HD3 :: 3.687 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) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.16 N 0.14 C 0.11 F 0.09 K 0.08 Y 0.08 R 0.01 HN Overlap>> 1.D110 1.D110 C Shift Assignments>> C :: 173.860 CA :: 54.191 CB :: 40.729 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 :: 8.488 HA :: 4.766 HB2 :: 2.906 HB3 :: 2.804 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.081 Ave N Shift Values>> N :: 120.73(4.2) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.28 I 0.04 HN Overlap>> 1.L165 1.L71 1.L165 1.L71 C Shift Assignments>> C :: 173.973 CA :: 62.168 CB :: 32.079 CG1 :: 18.408 CG2 :: 18.408 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 :: 7.935 HA :: 4.253 HB :: 2.297 HG11 :: 1.064 HG12 :: 1.064 HG13 :: 1.064 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 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 :: 118.900 Ave N Shift Values>> N :: 121.02(4.96) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 171.345 CA :: 45.221 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.481 HA2 :: 4.088 HA3 :: 4.066 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.000 Ave N Shift Values>> N :: 109.91(4.29) 1.Q135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.29 K 0.26 M 0.08 Q 0.01 HN Overlap>> 1.V195 1.V195 1.A226 1.K202 1.K23 1.F41 1.K26 1.A226 1.K202 1.K23 1.F41 1.K26 C Shift Assignments>> C :: 171.627 CA :: 57.519 CB :: 29.083 CG :: 30.596 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 :: 8.183 HA :: 4.284 HB2 :: 2.104 HB3 :: 2.085 HG2 :: 2.509 HG3 :: 2.519 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 :: 120.272 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 G 0.39 P 0.04 C Shift Assignments>> C :: 174.751 CA :: 63.597 CB :: 31.762 CG :: 24.422 CD :: 47.487 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 :: 4.567 HB2 :: 2.420 HB3 :: 2.036 HG2 :: 2.160 HG3 :: 2.143 HD2 :: 3.798 HD3 :: 3.895 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) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.37 L 0.05 R 0.03 C Shift Assignments>> C :: 174.294 CA :: 56.559 CB :: 30.048 CG :: 24.452 CD :: 40.412 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 :: 8.609 HA :: 4.404 HB2 :: 2.032 HB3 :: 2.000 HG2 :: 1.829 HG3 :: 1.782 HD2 :: 3.328 HD3 :: 3.330 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 :: 120.648 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.18 R 0.15 L 0.02 HN Overlap>> 1.E90 1.L107 1.E90 1.L107 C Shift Assignments>> C :: 174.839 CA :: 56.310 CB :: 30.223 CG :: 27.011 CD :: 40.411 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 :: 8.406 HA :: 4.399 HB2 :: 2.035 HB3 :: 2.031 HG2 :: 1.977 HG3 :: 1.969 HD2 :: 3.317 HD3 :: 3.317 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 :: 120.587 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 M 0.04 V 0.03 A 0.02 C Shift Assignments>> C :: 175.432 CA :: 57.519 CB :: 32.137 CG :: 22.034 CD :: 26.063 CE :: 38.992 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 :: 8.787 HA :: 4.371 HB2 :: 2.002 HB3 :: 1.980 HG2 :: 1.585 HG3 :: 1.567 HD2 :: 1.838 HD3 :: 1.820 HE2 :: 3.117 HE3 :: 3.106 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 :: 121.865 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 HN Overlap>> 1.T122 1.T122 1.S33 1.S33 C Shift Assignments>> CA :: 65.577 CB :: 66.346 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 :: 8.390 HA :: 4.327 HB :: 4.129 HG21 :: 1.429 HG22 :: 1.429 HG23 :: 1.429 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.419 Ave N Shift Values>> N :: 115.7(5.05) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 176.292 CA :: 54.765 CB :: 18.201 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.408 HA :: 4.179 HB1 :: 1.594 HB2 :: 1.594 HB3 :: 1.594 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.194 Ave N Shift Values>> N :: 123.23(3.7) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.04 M 0.02 HN Overlap>> 1.Y39 1.C44 1.Y39 1.C44 C Shift Assignments>> C :: 176.718 CA :: 58.687 CB :: 32.114 CG :: 22.139 CD :: 26.319 CE :: 39.067 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 :: 8.034 HA :: 4.154 HB2 :: 2.058 HB3 :: 2.036 HG2 :: 1.594 HG3 :: 1.566 HD2 :: 1.841 HD3 :: 1.815 HE2 :: 3.123 HE3 :: 3.105 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.458 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T40 1.S157 1.T40 1.S157 1.S28 1.N43 1.S28 1.N43 H Shift Assignments>> H :: 8.140 HA :: 4.800 HB2 :: 2.018 HB3 :: 2.018 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 :: 114.616 Ave N Shift Values>> N :: 120.1(3.88) 1.L144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.13 K 0.12 V 0.11 R 0.1 M 0.09 E 0.09 H 0.07 Q 0.03 I 0.02 HN Overlap>> 1.R247 1.K276 1.H161 1.N166 1.Q193 1.L56 1.R247 1.K276 1.H161 1.N166 1.Q193 1.L56 C Shift Assignments>> CA :: 59.117 CB :: 32.012 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 :: 8.228 HA :: 4.092 HB2 :: 2.125 HB3 :: 2.089 HG2 :: 2.051 HG3 :: 2.051 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.628 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.101 CA :: 61.467 CB :: 63.073 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.053 HA :: 4.396 HB2 :: 4.123 HB3 :: 4.044 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 :: 114.250 Ave N Shift Values>> N :: 116.3(3.95) 1.F147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 Y 0.25 F 0.21 C 0.2 E 0.04 C Shift Assignments>> CA :: 59.721 CB :: 38.531 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 :: 8.213 HA :: 4.534 HB2 :: 3.373 HB3 :: 3.352 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 :: 121.520 Ave N Shift Values>> N :: 120.69(4.18) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 A 0.15 L 0.06 G 0.01 HN Overlap>> 1.D61 1.D61 C Shift Assignments>> C :: 175.764 CA :: 56.885 CB :: 41.775 CG :: 24.150 CD1 :: 20.896 CD2 :: 21.933 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 :: 8.190 HA :: 4.175 HB2 :: 2.046 HB3 :: 2.012 HG :: 1.702 HD11 :: 1.034 HD12 :: 1.034 HD13 :: 1.034 HD21 :: 1.018 HD22 :: 1.018 HD23 :: 1.018 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 :: 118.049 Ave N Shift Values>> N :: 121.98(4.07) 1.K149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 M 0.04 V 0.03 A 0.03 HN Overlap>> 1.D48 1.D48 C Shift Assignments>> C :: 175.398 CA :: 57.318 CB :: 32.338 CG :: 21.833 CD :: 25.962 CE :: 38.956 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 :: 8.040 HA :: 4.286 HB2 :: 2.054 HB3 :: 2.013 HG2 :: 1.657 HG3 :: 1.569 HD2 :: 1.832 HD3 :: 1.832 HE2 :: 3.116 HE3 :: 3.116 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 :: 118.595 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 C 0.02 HN Overlap>> 1.W160 1.W160 C Shift Assignments>> C :: 176.738 CA :: 53.082 CB :: 18.424 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.056 HA :: 4.384 HB1 :: 1.559 HB2 :: 1.559 HB3 :: 1.559 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.029 Ave N Shift Values>> N :: 123.23(3.7) 1.G151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 172.333 CA :: 45.944 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.478 HA2 :: 4.013 HA3 :: 3.844 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.074 Ave N Shift Values>> N :: 109.91(4.29) 1.G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 172.261 CA :: 46.092 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.313 HA2 :: 4.030 HA3 :: 3.948 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.865 Ave N Shift Values>> N :: 109.91(4.29) 1.E153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.23 Q 0.23 M 0.14 R 0.07 E 0.05 HN Overlap>> 1.Y163 1.Y256 1.Y163 1.Y256 1.Y269 1.Y269 C Shift Assignments>> CA :: 56.569 CB :: 29.860 CG :: 32.861 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 :: 8.091 HA :: 4.482 HB2 :: 2.246 HB3 :: 2.220 HG2 :: 2.448 HG3 :: 2.435 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 :: 119.431 Ave N Shift Values>> N :: 120.68(3.68) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.37 I 0.06 HN Overlap>> 1.V191 1.V191 C Shift Assignments>> CA :: 63.504 CB :: 32.128 CG1 :: 18.329 CG2 :: 18.329 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 :: 7.999 HA :: 4.139 HB :: 2.321 HG11 :: 1.129 HG12 :: 1.129 HG13 :: 1.129 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 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 :: 118.256 Ave N Shift Values>> N :: 121.02(4.96) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 HN Overlap>> 1.A55 1.F263 1.L181 1.A55 1.F263 1.L181 C Shift Assignments>> CA :: 62.656 CB :: 38.322 CG1 :: 25.634 CG2 :: 14.782 CD1 :: 10.250 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 :: 7.991 HA :: 4.042 HB :: 2.079 HG12 :: 1.361 HG13 :: 1.361 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 HD11 :: 1.018 HD12 :: 1.018 HD13 :: 1.018 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 :: 120.008 Ave N Shift Values>> N :: 121.6(4.72) 1.D156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.15 C 0.13 L 0.13 F 0.12 Y 0.11 K 0.05 HN Overlap>> 1.V188 1.A98 1.V188 1.A98 C Shift Assignments>> CA :: 54.699 CB :: 40.223 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 :: 8.177 HA :: 4.735 HB2 :: 2.912 HB3 :: 2.914 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 :: 121.056 Ave N Shift Values>> N :: 120.73(4.2) 1.S157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M143 1.S28 1.N43 1.M143 1.S28 1.N43 C Shift Assignments>> C :: 172.476 CA :: 59.701 CB :: 63.462 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.122 HA :: 4.483 HB2 :: 4.103 HB3 :: 4.033 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 :: 114.714 Ave N Shift Values>> N :: 116.3(3.95) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.28 I 0.07 HN Overlap>> 1.L38 1.L38 1.L49 1.D36 1.L128 1.L49 1.D36 1.L128 C Shift Assignments>> C :: 173.998 CA :: 62.761 CB :: 32.137 CG1 :: 18.408 CG2 :: 18.106 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 :: 8.017 HA :: 4.167 HB :: 2.159 HG11 :: 1.059 HG12 :: 1.059 HG13 :: 1.059 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 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 :: 120.676 Ave N Shift Values>> N :: 121.02(4.96) 1.T159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.07 C Shift Assignments>> C :: 172.697 CA :: 62.656 CB :: 69.137 CG2 :: 18.710 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 :: 8.186 HA :: 4.306 HB :: 4.237 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 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 :: 116.763 Ave N Shift Values>> N :: 115.7(5.05) 1.W160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.13 W 0.13 Q 0.13 H 0.13 K 0.12 C 0.11 R 0.11 M 0.03 I 0.03 L 0.01 HN Overlap>> 1.A150 1.A150 C Shift Assignments>> C :: 174.140 CA :: 57.418 CB :: 29.448 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.097 HA :: 4.670 HB2 :: 3.374 HB3 :: 3.325 HD1 :: 7.287 HE1 :: 10.343 HE3 :: 7.433 HH2 :: 7.107 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.120 NE1 :: 129.354 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 W 0.09 C 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 M 0.03 I 0.03 V 0.02 T 0.02 L 0.02 HN Overlap>> 1.K145 1.R247 1.K145 1.R247 1.N166 1.L56 1.N166 1.L56 C Shift Assignments>> CA :: 58.574 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 :: 8.265 HA :: 4.570 HB2 :: 3.111 HB3 :: 3.113 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 :: 117.716 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 S 0.11 I 0.1 Y 0.09 C 0.09 W 0.08 T 0.07 V 0.07 E 0.05 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.02 L 0.01 HN Overlap>> 1.L114 1.F51 1.F111 1.L114 1.F51 1.F111 C Shift Assignments>> CA :: 59.822 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 :: 8.390 HA :: 4.594 HB2 :: 3.350 HB3 :: 3.190 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 :: 119.329 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.2 I 0.13 D 0.03 E 0.02 L 0.02 N 0.01 HN Overlap>> 1.Q63 1.E153 1.Y269 1.Q63 1.E153 1.Y269 C Shift Assignments>> CA :: 58.361 CB :: 39.146 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 :: 8.172 HA :: 4.549 HB2 :: 3.097 HB3 :: 3.035 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 :: 119.483 Ave N Shift Values>> N :: 120.79(4.69) 1.Y164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.14 E 0.03 D 0.02 L 0.02 HN Overlap>> 1.S84 1.S84 1.K24 1.Q113 1.K24 1.Q113 C Shift Assignments>> CA :: 58.523 CB :: 39.109 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 :: 8.193 HA :: 4.544 HB2 :: 3.097 HB3 :: 2.981 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 :: 119.141 Ave N Shift Values>> N :: 120.79(4.69) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 A 0.09 L 0.09 G 0.01 HN Overlap>> 1.V133 1.V133 C Shift Assignments>> CA :: 57.570 CB :: 41.605 CG :: 24.431 CD1 :: 22.034 CD2 :: 20.725 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.999 HA :: 4.356 HB2 :: 1.988 HB3 :: 1.869 HG :: 1.648 HD11 :: 1.002 HD12 :: 1.002 HD13 :: 1.002 HD21 :: 1.002 HD22 :: 1.002 HD23 :: 1.002 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 :: 118.943 Ave N Shift Values>> N :: 121.98(4.07) 1.N166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.23 C 0.15 Y 0.1 F 0.09 L 0.06 HN Overlap>> 1.K145 1.R247 1.K276 1.H161 1.K145 1.R247 1.K276 1.H161 1.Q193 1.L56 1.Q193 1.L56 C Shift Assignments>> CA :: 54.034 CB :: 39.279 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 :: 8.227 HA :: 4.750 HB2 :: 2.953 HB3 :: 2.829 HD21 :: 7.613 HD22 :: 6.904 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.610 ND2 :: 112.045 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 HN Overlap>> 1.G216 1.G52 1.G216 1.G52 C Shift Assignments>> C :: 171.692 CA :: 45.629 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.387 HA2 :: 4.053 HA3 :: 3.992 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.310 Ave N Shift Values>> N :: 109.91(4.29) 1.R168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.34 R 0.04 HN Overlap>> 1.S121 1.S121 1.V194 1.V194 C Shift Assignments>> C :: 173.759 CA :: 56.110 CB :: 31.009 CG :: 24.847 CD :: 40.265 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 :: 8.073 HA :: 4.513 HB2 :: 1.998 HB3 :: 1.927 HG2 :: 1.707 HG3 :: 1.706 HD2 :: 3.286 HD3 :: 3.282 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 :: 119.652 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 171.732 CA :: 61.919 CB :: 69.553 CG2 :: 18.710 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 :: 8.190 HA :: 4.497 HB :: 4.368 HG1 :: 4.624 HG21 :: 1.330 HG22 :: 1.330 HG23 :: 1.330 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 :: 113.654 Ave N Shift Values>> N :: 115.7(5.05) 1.A170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.18 C 0.03 L 0.01 C Shift Assignments>> C :: 174.606 CA :: 52.298 CB :: 19.729 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.262 HA :: 4.588 HB1 :: 1.542 HB2 :: 1.542 HB3 :: 1.542 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.543 Ave N Shift Values>> N :: 123.23(3.7) 1.T171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 172.517 CA :: 61.078 CB :: 70.520 CG2 :: 18.710 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 :: 8.385 HA :: 4.630 HB :: 4.485 HG1 :: 4.706 HG21 :: 1.334 HG22 :: 1.334 HG23 :: 1.334 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 :: 111.853 Ave N Shift Values>> N :: 115.7(5.05) 1.R172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.37 L 0.05 R 0.03 C Shift Assignments>> C :: 174.291 CA :: 57.707 CB :: 29.956 CG :: 24.228 CD :: 40.466 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 :: 8.595 HA :: 4.264 HB2 :: 1.983 HB3 :: 1.999 HG2 :: 1.772 HG3 :: 1.760 HD2 :: 3.300 HD3 :: 3.294 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 :: 121.812 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 Q 0.13 H 0.12 K 0.12 C 0.11 R 0.11 I 0.04 M 0.03 V 0.01 C Shift Assignments>> C :: 174.433 CA :: 57.771 CB :: 29.442 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 :: 8.516 HA :: 4.268 HB2 :: 2.110 HB3 :: 2.062 HG2 :: 2.446 HG3 :: 2.404 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 :: 118.604 Ave N Shift Values>> N :: 120.68(3.68) 1.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.16 C 0.13 F 0.12 Y 0.11 K 0.09 N 0.09 R 0.01 I 0.01 HN Overlap>> 1.K97 1.K97 1.D48 1.D48 C Shift Assignments>> C :: 173.733 CA :: 55.129 CB :: 40.620 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 :: 8.117 HA :: 4.672 HB2 :: 2.788 HB3 :: 2.709 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.719 Ave N Shift Values>> N :: 120.73(4.2) 1.F175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 C 0.21 I 0.14 E 0.05 D 0.02 L 0.02 N 0.01 HN Overlap>> 1.Y129 1.Y129 C Shift Assignments>> CA :: 58.350 CB :: 38.746 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 :: 7.844 HA :: 4.639 HB2 :: 3.207 HB3 :: 3.186 HD1 :: 7.349 HD2 :: 7.349 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 :: 117.446 Ave N Shift Values>> N :: 120.69(4.18) 1.L176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 A 0.29 L 0.08 C Shift Assignments>> CA :: 55.875 CB :: 41.404 CG :: 24.096 CD1 :: 22.258 CD2 :: 20.851 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 :: 7.768 HA :: 4.363 HB2 :: 1.718 HB3 :: 1.670 HG :: 1.670 HD11 :: 1.001 HD12 :: 1.001 HD13 :: 1.001 HD21 :: 0.960 HD22 :: 0.960 HD23 :: 0.960 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 :: 117.839 Ave N Shift Values>> N :: 121.98(4.07) 1.N177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.17 C 0.16 Y 0.03 F 0.03 L 0.02 HN Overlap>> 1.N65 1.N65 C Shift Assignments>> C :: 171.591 CA :: 51.087 CB :: 38.949 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 :: 7.790 HA :: 5.046 HB2 :: 3.048 HB3 :: 3.003 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 :: 120.183 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.61 P 0.17 C 0.17 C Shift Assignments>> CA :: 64.943 CB :: 32.120 CG :: 24.351 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 :: 4.410 HD2 :: 4.059 HD3 :: 3.992 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) 1.D179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 F 0.17 Y 0.15 C 0.14 L 0.14 K 0.09 N 0.06 I 0.02 R 0.01 HN Overlap>> 1.D268 1.S211 1.F275 1.S34 1.D268 1.S211 1.F275 1.S34 C Shift Assignments>> CA :: 56.025 CB :: 40.437 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 :: 8.313 HA :: 4.672 HB2 :: 2.819 HB3 :: 2.815 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 :: 117.449 Ave N Shift Values>> N :: 120.73(4.2) 1.V180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.21 I 0.02 C Shift Assignments>> C :: 174.921 CA :: 65.073 CB :: 31.740 CG1 :: 19.575 CG2 :: 18.338 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.830 HA :: 3.920 HB :: 2.355 HG11 :: 1.209 HG12 :: 1.209 HG13 :: 1.209 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 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 :: 119.296 Ave N Shift Values>> N :: 121.02(4.96) 1.L181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 L 0.12 A 0.06 G 0.01 HN Overlap>> 1.A55 1.F263 1.A55 1.F263 1.I155 1.I155 C Shift Assignments>> CA :: 57.352 CB :: 41.605 CG :: 24.191 CD1 :: 21.890 CD2 :: 21.666 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 :: 7.970 HA :: 4.269 HB2 :: 1.889 HB3 :: 1.856 HG :: 1.856 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 1.008 HD22 :: 1.008 HD23 :: 1.008 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 :: 120.021 Ave N Shift Values>> N :: 121.98(4.07) 1.D182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 C 0.17 D 0.08 L 0.08 I 0.07 K 0.05 N 0.01 HN Overlap>> 1.V249 1.D99 1.V249 1.D99 C Shift Assignments>> CA :: 57.590 CB :: 40.061 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 :: 8.107 HA :: 4.620 HB2 :: 3.037 HB3 :: 2.913 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 :: 117.311 Ave N Shift Values>> N :: 120.73(4.2) 1.I183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 HN Overlap>> 1.N65 1.N65 C Shift Assignments>> C :: 176.367 CA :: 64.170 CB :: 37.388 CG1 :: 25.754 CG2 :: 14.581 CD1 :: 10.350 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 :: 7.822 HA :: 4.025 HB :: 2.098 HG12 :: 1.388 HG13 :: 1.350 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 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 :: 120.016 Ave N Shift Values>> N :: 121.6(4.72) 1.F184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 F 0.2 Y 0.19 C 0.17 E 0.01 HN Overlap>> 1.Y75 1.Y75 1.W64 1.W64 C Shift Assignments>> C :: 174.338 CA :: 61.313 CB :: 38.969 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 :: 8.444 HA :: 4.402 HB2 :: 3.384 HB3 :: 3.384 HD1 :: 7.315 HD2 :: 7.315 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 :: 122.675 Ave N Shift Values>> N :: 120.69(4.18) 1.I185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.614 CA :: 65.044 CB :: 37.521 CG1 :: 25.862 CG2 :: 14.681 CD1 :: 10.076 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 :: 8.892 HA :: 3.638 HB :: 2.153 HG12 :: 1.394 HG13 :: 1.367 HG21 :: 1.043 HG22 :: 1.043 HG23 :: 1.043 HD11 :: 1.064 HD12 :: 1.064 HD13 :: 1.064 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 :: 118.804 Ave N Shift Values>> N :: 121.6(4.72) 1.S186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T209 1.T209 C Shift Assignments>> C :: 175.642 CA :: 61.549 CB :: 62.696 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.322 HA :: 4.425 HB2 :: 4.186 HB3 :: 4.120 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 :: 114.147 Ave N Shift Values>> N :: 116.3(3.95) 1.S187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.22 P 0.19 I 0.18 C 0.03 F 0.02 Y 0.02 W 0.01 S 0.01 C Shift Assignments>> CA :: 62.696 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.152 HA :: 4.388 HB2 :: 4.231 HB3 :: 4.192 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 :: 118.197 Ave N Shift Values>> N :: 116.3(3.95) 1.V188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.A98 1.D156 1.A98 1.D156 C Shift Assignments>> CA :: 66.359 CB :: 31.148 CG1 :: 19.301 CG2 :: 20.009 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 :: 8.183 HA :: 3.637 HB :: 2.165 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 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 :: 121.060 Ave N Shift Values>> N :: 121.02(4.96) 1.Q189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 I 0.07 E 0.06 R 0.05 T 0.05 V 0.05 K 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.386 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 :: 8.306 HA :: 4.103 HB2 :: 2.273 HB3 :: 2.273 HG2 :: 2.374 HG3 :: 2.441 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 :: 118.142 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.15 M 0.14 R 0.11 W 0.11 E 0.09 H 0.08 Q 0.05 V 0.04 I 0.01 HN Overlap>> 1.L234 1.L231 1.L234 1.L231 C Shift Assignments>> C :: 176.325 CA :: 57.720 CB :: 32.137 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 :: 7.872 HA :: 4.276 HB2 :: 2.181 HB3 :: 2.173 HE2 :: 2.688 HE3 :: 2.688 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 :: 118.570 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.36 I 0.02 HN Overlap>> 1.V154 1.V154 C Shift Assignments>> CA :: 63.361 CB :: 31.833 CG1 :: 19.310 CG2 :: 18.601 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 :: 7.968 HA :: 3.748 HB :: 2.323 HG11 :: 1.151 HG12 :: 1.151 HG13 :: 1.151 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 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 :: 118.297 Ave N Shift Values>> N :: 121.02(4.96) 1.F192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 F 0.2 Y 0.2 C 0.17 E 0.01 C Shift Assignments>> C :: 174.412 CA :: 61.044 CB :: 38.944 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 :: 8.395 HA :: 4.307 HB2 :: 3.366 HB3 :: 3.287 HD1 :: 7.362 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 :: 118.414 Ave N Shift Values>> N :: 120.69(4.18) 1.Q193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 C 0.17 P 0.13 W 0.11 I 0.07 R 0.06 E 0.05 K 0.04 M 0.03 H 0.03 Q 0.01 HN Overlap>> 1.K145 1.R247 1.K276 1.N166 1.K145 1.R247 1.K276 1.N166 1.M240 1.L56 1.M240 1.L56 C Shift Assignments>> CA :: 61.100 CB :: 31.686 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 :: 8.200 HA :: 4.228 HB2 :: 2.341 HB3 :: 2.341 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.567 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.25 I 0.06 HN Overlap>> 1.Q63 1.S121 1.R168 1.Q63 1.S121 1.R168 1.Y269 1.Y269 C Shift Assignments>> CA :: 65.711 CB :: 31.533 CG1 :: 18.633 CG2 :: 18.550 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 :: 8.085 HA :: 3.779 HB :: 2.378 HG11 :: 1.066 HG12 :: 1.066 HG13 :: 1.066 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 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 :: 119.573 Ave N Shift Values>> N :: 121.02(4.96) 1.V195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.43 I 0.04 HN Overlap>> 1.Q135 1.E243 1.K26 1.N68 1.Q135 1.E243 1.K26 1.N68 C Shift Assignments>> CA :: 62.920 CB :: 31.935 CG1 :: 18.610 CG2 :: 18.610 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 :: 8.289 HA :: 3.812 HB :: 2.288 HG11 :: 1.113 HG12 :: 1.113 HG13 :: 1.113 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 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 :: 120.298 Ave N Shift Values>> N :: 121.02(4.96) 1.E196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 I 0.37 E 0.11 L 0.03 K 0.02 C Shift Assignments>> CA :: 58.265 CB :: 28.809 CG :: 39.095 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 :: 8.413 HA :: 4.208 HB2 :: 2.165 HB3 :: 2.108 HG2 :: 2.410 HG3 :: 2.379 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 :: 118.860 Ave N Shift Values>> N :: 120.68(3.68) 1.S197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.853 CB :: 62.849 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.931 HA :: 4.548 HB2 :: 4.186 HB3 :: 4.143 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 :: 112.902 Ave N Shift Values>> N :: 116.3(3.95) 1.T198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.951 CB :: 69.706 CG2 :: 18.747 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 :: 7.868 HA :: 4.499 HB :: 4.371 HG1 :: 4.698 HG21 :: 1.395 HG22 :: 1.395 HG23 :: 1.395 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 :: 113.274 Ave N Shift Values>> N :: 115.7(5.05) 1.R199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.32 L 0.04 R 0.03 C Shift Assignments>> C :: 171.485 CA :: 54.511 CB :: 30.415 CG :: 24.467 CD :: 40.393 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 :: 8.020 HA :: 4.686 HB2 :: 2.000 HB3 :: 1.953 HG2 :: 1.830 HG3 :: 1.813 HD2 :: 3.329 HD3 :: 3.304 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.222 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.58 G 0.37 P 0.04 C Shift Assignments>> C :: 175.161 CA :: 63.500 CB :: 31.734 CG :: 24.452 CD :: 47.517 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 :: 4.578 HB2 :: 2.424 HB3 :: 2.066 HG2 :: 2.123 HG3 :: 2.095 HD2 :: 3.908 HD3 :: 3.778 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) 1.G201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 HN Overlap>> 1.G88 1.G88 C Shift Assignments>> C :: 171.602 CA :: 45.236 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.529 HA2 :: 4.087 HA3 :: 4.089 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.410 Ave N Shift Values>> N :: 109.91(4.29) 1.K202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.07 M 0.04 V 0.02 HN Overlap>> 1.Q135 1.A226 1.Q135 1.A226 1.K23 1.F41 1.L47 1.K26 1.K23 1.F41 1.L47 1.K26 C Shift Assignments>> CA :: 56.346 CB :: 32.507 CG :: 21.909 CD :: 25.920 CE :: 39.010 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 :: 8.132 HA :: 4.369 HB2 :: 1.949 HB3 :: 1.885 HG2 :: 1.518 HG3 :: 1.497 HD2 :: 1.775 HD3 :: 1.762 HE2 :: 3.111 HE3 :: 3.111 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 :: 120.272 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 A 0.09 M 0.05 V 0.01 HN Overlap>> 1.D222 1.D222 C Shift Assignments>> C :: 173.952 CA :: 56.077 CB :: 32.270 CG :: 21.849 CD :: 26.048 CE :: 38.972 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 :: 8.347 HA :: 4.382 HB2 :: 1.791 HB3 :: 1.785 HG2 :: 1.516 HG3 :: 1.424 HD2 :: 1.740 HD3 :: 1.740 HE2 :: 3.041 HE3 :: 3.036 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 :: 121.441 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.23 I 0.1 HN Overlap>> 1.L57 1.F224 1.L57 1.F224 1.K124 1.W230 1.K124 1.W230 C Shift Assignments>> CA :: 62.826 CB :: 31.980 CG1 :: 18.014 CG2 :: 18.307 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 :: 8.132 HA :: 4.189 HB :: 2.151 HG11 :: 1.042 HG12 :: 1.042 HG13 :: 1.042 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 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 :: 120.037 Ave N Shift Values>> N :: 121.02(4.96) 1.W205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.13 E 0.13 Q 0.13 K 0.13 H 0.12 C 0.11 R 0.11 I 0.03 M 0.03 L 0.01 HN Overlap>> 1.A253 1.A253 C Shift Assignments>> CA :: 57.447 CB :: 29.345 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.213 HA :: 4.819 HB2 :: 3.390 HB3 :: 3.390 HD1 :: 7.354 HE1 :: 10.391 HZ2 :: 7.637 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.882 NE1 :: 129.745 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 A 0.45 L 0.06 G 0.01 C Shift Assignments>> C :: 174.765 CA :: 54.987 CB :: 41.725 CG :: 24.097 CD1 :: 22.036 CD2 :: 20.768 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 :: 8.004 HA :: 4.405 HB2 :: 1.653 HB3 :: 1.642 HG :: 1.580 HD21 :: 0.956 HD22 :: 0.956 HD23 :: 0.956 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 :: 121.838 Ave N Shift Values>> N :: 121.98(4.07) 1.G207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 171.554 CA :: 45.244 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.811 HA2 :: 3.970 HA3 :: 3.920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.585 Ave N Shift Values>> N :: 109.91(4.29) 1.E208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.21 M 0.13 E 0.09 R 0.04 HN Overlap>> 1.E243 1.I242 1.E243 1.I242 1.K26 1.K26 C Shift Assignments>> CA :: 56.615 CB :: 29.936 CG :: 33.436 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 :: 8.314 HA :: 4.476 HB2 :: 2.249 HB3 :: 2.090 HG2 :: 2.390 HG3 :: 2.393 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 :: 120.169 Ave N Shift Values>> N :: 120.68(3.68) 1.T209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.S186 1.S186 C Shift Assignments>> C :: 172.300 CA :: 62.050 CB :: 69.620 CG2 :: 18.710 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 :: 8.243 HA :: 4.478 HB :: 4.369 HG1 :: 4.697 HG21 :: 1.334 HG22 :: 1.334 HG23 :: 1.334 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 :: 114.112 Ave N Shift Values>> N :: 115.7(5.05) 1.S210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S34 1.S34 C Shift Assignments>> CA :: 58.486 CB :: 63.654 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.351 HA :: 4.560 HB2 :: 4.041 HB3 :: 3.984 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.275 Ave N Shift Values>> N :: 116.3(3.95) 1.S211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D268 1.D268 1.F275 1.S34 1.D179 1.F275 1.S34 1.D179 C Shift Assignments>> CA :: 58.288 CB :: 63.016 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.317 HA :: 4.628 HB2 :: 4.077 HB3 :: 3.969 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.449 Ave N Shift Values>> N :: 116.3(3.95) 1.A212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.02 C Shift Assignments>> C :: 174.940 CA :: 52.684 CB :: 18.942 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.257 HA :: 4.402 HB1 :: 1.388 HB2 :: 1.388 HB3 :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.063 Ave N Shift Values>> N :: 123.23(3.7) 1.Y213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.21 I 0.1 D 0.04 E 0.04 L 0.03 N 0.02 HN Overlap>> 1.V244 1.D232 1.V244 1.D232 C Shift Assignments>> C :: 173.829 CA :: 57.784 CB :: 38.944 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 :: 8.051 HA :: 4.696 HB2 :: 3.167 HB3 :: 3.069 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 :: 118.000 Ave N Shift Values>> N :: 120.79(4.69) 1.G214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 172.191 CA :: 45.278 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.276 HA2 :: 4.073 HA3 :: 4.055 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.170 Ave N Shift Values>> N :: 109.91(4.29) 1.G215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 172.012 CA :: 45.282 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.974 HA2 :: 4.093 HA3 :: 4.086 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.079 Ave N Shift Values>> N :: 109.91(4.29) 1.G216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 HN Overlap>> 1.G167 1.G167 C Shift Assignments>> C :: 170.843 CA :: 44.974 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.299 HA2 :: 4.081 HA3 :: 4.071 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.322 Ave N Shift Values>> N :: 109.91(4.29) 1.A217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C 0.01 C Shift Assignments>> C :: 172.966 CA :: 50.902 CB :: 18.132 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.192 HA :: 4.703 HB1 :: 1.508 HB2 :: 1.508 HB3 :: 1.508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.174 Ave N Shift Values>> N :: 123.23(3.7) 1.P218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.59 G 0.36 P 0.03 C Shift Assignments>> C :: 174.375 CA :: 63.393 CB :: 31.640 CG :: 24.351 CD :: 47.517 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 :: 4.566 HB2 :: 2.396 HB3 :: 2.012 HD2 :: 3.863 HD3 :: 3.755 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) 1.L219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 A 0.28 L 0.14 G 0.01 HN Overlap>> 1.L73 1.E90 1.L107 1.L73 1.E90 1.L107 C Shift Assignments>> C :: 175.503 CA :: 55.787 CB :: 41.820 CG :: 24.555 CD1 :: 22.180 CD2 :: 20.920 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 :: 8.323 HA :: 4.427 HB2 :: 1.791 HB3 :: 1.777 HG :: 1.705 HD11 :: 1.032 HD12 :: 1.032 HD13 :: 1.032 HD21 :: 0.978 HD22 :: 0.978 HD23 :: 0.978 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 :: 120.700 Ave N Shift Values>> N :: 121.98(4.07) 1.L220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 A 0.26 L 0.1 G 0.01 C Shift Assignments>> C :: 175.169 CA :: 56.075 CB :: 41.869 CG :: 24.205 CD1 :: 22.234 CD2 :: 20.865 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.398 HA :: 4.420 HB2 :: 1.843 HB3 :: 1.756 HG :: 1.722 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 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 :: 120.819 Ave N Shift Values>> N :: 121.98(4.07) 1.S221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.330 CA :: 60.186 CB :: 62.990 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.296 HA :: 4.378 HB2 :: 4.111 HB3 :: 4.020 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 :: 114.582 Ave N Shift Values>> N :: 116.3(3.95) 1.D222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.17 D 0.16 C 0.15 L 0.13 K 0.08 N 0.05 I 0.02 R 0.01 HN Overlap>> 1.K203 1.K203 1.E86 1.E86 C Shift Assignments>> CA :: 56.345 CB :: 40.371 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 :: 8.383 HA :: 4.367 HB2 :: 2.901 HB3 :: 2.895 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 :: 121.404 Ave N Shift Values>> N :: 120.73(4.2) 1.T223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 65.157 CB :: 68.686 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 :: 8.081 HA :: 4.145 HB :: 4.198 HG21 :: 1.184 HG22 :: 1.184 HG23 :: 1.184 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 :: 116.096 Ave N Shift Values>> N :: 115.7(5.05) 1.F224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 I 0.23 F 0.22 C 0.2 E 0.04 HN Overlap>> 1.L57 1.L57 1.V204 1.K23 1.K124 1.V204 1.K23 1.K124 C Shift Assignments>> C :: 174.220 CA :: 59.550 CB :: 38.584 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 :: 8.199 HA :: 4.528 HB2 :: 3.265 HB3 :: 3.223 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 :: 120.077 Ave N Shift Values>> N :: 120.69(4.18) 1.A225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.41 C 0.02 I 0.01 HN Overlap>> 1.L266 1.I83 1.L266 1.I83 C Shift Assignments>> C :: 174.173 CA :: 54.213 CB :: 18.403 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.161 HA :: 4.272 HB1 :: 1.680 HB2 :: 1.680 HB3 :: 1.680 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.718 Ave N Shift Values>> N :: 123.23(3.7) 1.A226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.42 C 0.02 I 0.01 HN Overlap>> 1.Q135 1.Q135 1.K202 1.K23 1.F41 1.K26 1.K202 1.K23 1.F41 1.K26 C Shift Assignments>> CA :: 54.271 CB :: 18.395 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.133 HA :: 4.384 HB1 :: 1.635 HB2 :: 1.635 HB3 :: 1.635 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.260 Ave N Shift Values>> N :: 123.23(3.7) 1.G227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 171.990 CA :: 46.630 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.300 HA2 :: 3.993 HA3 :: 3.778 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.868 Ave N Shift Values>> N :: 109.91(4.29) 1.F228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 Y 0.23 F 0.2 C 0.2 E 0.04 C Shift Assignments>> C :: 175.093 CA :: 60.123 CB :: 38.460 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 :: 8.386 HA :: 4.484 HB2 :: 3.292 HB3 :: 3.150 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 :: 119.563 Ave N Shift Values>> N :: 120.69(4.18) 1.M229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.37 V 0.1 I 0.05 A 0.02 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 175.579 CA :: 58.169 CB :: 32.117 CE :: 18.710 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 :: 8.259 HA :: 4.379 HB2 :: 2.322 HB3 :: 2.276 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 :: 119.310 Ave N Shift Values>> N :: 120.1(3.88) 1.W230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 W 0.14 C 0.14 E 0.1 K 0.09 R 0.07 Q 0.07 H 0.06 V 0.02 P 0.01 M 0.01 L 0.01 HN Overlap>> 1.A55 1.L57 1.V204 1.K124 1.A55 1.L57 1.V204 1.K124 C Shift Assignments>> C :: 175.197 CA :: 60.133 CB :: 28.749 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.057 HA :: 4.495 HB2 :: 3.521 HB3 :: 3.460 HD1 :: 7.423 HE1 :: 10.385 HZ2 :: 7.483 HH2 :: 7.174 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.111 NE1 :: 129.379 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 L 0.07 A 0.06 HN Overlap>> 1.K190 1.K190 C Shift Assignments>> CA :: 57.842 CB :: 41.464 CG :: 24.114 CD1 :: 22.236 CD2 :: 20.853 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 :: 7.954 HA :: 4.022 HB2 :: 1.925 HB3 :: 1.903 HG :: 1.768 HD11 :: 0.990 HD12 :: 0.990 HD13 :: 0.990 HD21 :: 1.000 HD22 :: 1.000 HD23 :: 1.000 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 :: 118.502 Ave N Shift Values>> N :: 121.98(4.07) 1.D232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 L 0.15 K 0.15 Y 0.14 D 0.14 C 0.13 N 0.03 R 0.02 I 0.02 HN Overlap>> 1.Y213 1.V244 1.Y213 1.V244 C Shift Assignments>> CA :: 56.523 CB :: 40.878 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 :: 8.084 HA :: 4.547 HB2 :: 2.913 HB3 :: 2.907 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 :: 117.905 Ave N Shift Values>> N :: 120.73(4.2) 1.K233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 M 0.04 V 0.03 A 0.01 HN Overlap>> 1.I102 1.I102 C Shift Assignments>> C :: 175.075 CA :: 57.971 CB :: 32.181 CG :: 22.151 CD :: 26.164 CE :: 38.855 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 :: 7.956 HA :: 4.241 HB2 :: 2.054 HB3 :: 2.022 HG2 :: 1.698 HG3 :: 1.670 HD2 :: 1.785 HD3 :: 1.795 HE2 :: 3.102 HE3 :: 3.102 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 :: 118.722 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 A 0.28 L 0.08 G 0.02 HN Overlap>> 1.K190 1.K190 C Shift Assignments>> C :: 175.057 CA :: 56.111 CB :: 42.015 CG :: 24.048 CD1 :: 22.337 CD2 :: 20.727 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 :: 7.794 HA :: 4.330 HB2 :: 1.848 HB3 :: 1.715 HG :: 1.710 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 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 :: 118.510 Ave N Shift Values>> N :: 121.98(4.07) 1.G235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 172.409 CA :: 45.835 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.171 HA2 :: 4.137 HA3 :: 4.016 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.940 Ave N Shift Values>> N :: 109.91(4.29) 1.L236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 A 0.32 L 0.09 G 0.03 HN Overlap>> 1.E109 1.F41 1.L47 1.E109 1.F41 1.L47 C Shift Assignments>> CA :: 55.791 CB :: 42.179 CG :: 24.149 CD1 :: 22.135 CD2 :: 20.826 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 :: 8.063 HA :: 4.422 HB2 :: 1.801 HB3 :: 1.790 HG :: 1.722 HD11 :: 1.016 HD12 :: 1.016 HD13 :: 1.016 HD21 :: 1.016 HD22 :: 1.016 HD23 :: 1.016 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 :: 120.385 Ave N Shift Values>> N :: 121.98(4.07) 1.S237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.897 CA :: 59.607 CB :: 63.816 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.206 HA :: 4.518 HB2 :: 4.174 HB3 :: 3.999 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 :: 114.410 Ave N Shift Values>> N :: 116.3(3.95) 1.A238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 176.022 CA :: 54.412 CB :: 18.497 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.575 HA :: 4.262 HB1 :: 1.564 HB2 :: 1.564 HB3 :: 1.564 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.665 Ave N Shift Values>> N :: 123.23(3.7) 1.R239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 R 0.11 H 0.1 Q 0.1 K 0.09 I 0.06 M 0.03 V 0.02 HN Overlap>> 1.N54 1.N54 C Shift Assignments>> C :: 175.239 CA :: 58.732 CB :: 29.742 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 :: 8.329 HA :: 4.116 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 1.830 HG3 :: 1.752 HD2 :: 3.309 HD3 :: 3.309 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.817 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.M240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.27 Q 0.17 R 0.13 M 0.09 E 0.03 HN Overlap>> 1.K276 1.Y39 1.D99 1.Q193 1.K276 1.Y39 1.D99 1.Q193 C Shift Assignments>> CA :: 57.695 CB :: 32.276 CG :: 29.547 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 :: 8.161 HA :: 4.446 HB2 :: 2.305 HB3 :: 2.305 HG2 :: 2.853 HG3 :: 2.730 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 :: 117.503 Ave N Shift Values>> N :: 120.1(3.88) 1.G241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 172.336 CA :: 46.742 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.437 HA2 :: 3.971 HA3 :: 3.876 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.782 Ave N Shift Values>> N :: 109.91(4.29) 1.I242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 HN Overlap>> 1.E208 1.E208 C Shift Assignments>> C :: 174.543 CA :: 64.342 CB :: 37.527 CG1 :: 26.164 CG2 :: 14.681 CD1 :: 10.250 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 :: 8.345 HA :: 3.929 HB :: 2.068 HG12 :: 1.342 HG13 :: 1.300 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 HD11 :: 0.990 HD12 :: 0.990 HD13 :: 0.990 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 :: 120.112 Ave N Shift Values>> N :: 121.6(4.72) 1.E243 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.17 C 0.13 W 0.13 R 0.11 K 0.11 E 0.09 Q 0.09 H 0.07 L 0.02 V 0.01 P 0.01 M 0.01 HN Overlap>> 1.V195 1.V195 1.E208 1.N68 1.E208 1.N68 C Shift Assignments>> CA :: 59.509 CB :: 28.291 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 :: 8.333 HA :: 4.101 HB2 :: 2.385 HB3 :: 2.298 HG2 :: 2.619 HG3 :: 2.619 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 :: 120.240 Ave N Shift Values>> N :: 120.68(3.68) 1.V244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.12 I 0.02 HN Overlap>> 1.Y213 1.Y213 1.D232 1.D232 C Shift Assignments>> CA :: 66.280 CB :: 31.287 CG1 :: 19.752 CG2 :: 18.528 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 :: 8.029 HA :: 3.864 HB :: 2.395 HG11 :: 1.265 HG12 :: 1.265 HG13 :: 1.265 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.993 Ave N Shift Values>> N :: 121.02(4.96) 1.V245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.09 HN Overlap>> 1.L117 1.L117 C Shift Assignments>> C :: 175.243 CA :: 66.171 CB :: 31.753 CG1 :: 20.254 CG2 :: 18.574 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 :: 7.887 HA :: 3.812 HB :: 2.325 HG11 :: 1.220 HG12 :: 1.220 HG13 :: 1.220 HG21 :: 1.100 HG22 :: 1.100 HG23 :: 1.100 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 :: 119.172 Ave N Shift Values>> N :: 121.02(4.96) 1.M246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.27 Q 0.2 R 0.12 M 0.05 E 0.04 HN Overlap>> 1.N92 1.N92 C Shift Assignments>> CA :: 58.168 CB :: 32.671 CG :: 29.130 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 :: 8.611 HA :: 4.333 HB2 :: 2.157 HB3 :: 2.121 HG2 :: 2.411 HG3 :: 2.404 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 :: 117.116 Ave N Shift Values>> N :: 120.1(3.88) 1.R247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.13 I 0.11 R 0.1 H 0.09 K 0.08 Q 0.08 V 0.03 M 0.02 HN Overlap>> 1.K145 1.K145 1.K276 1.D268 1.H161 1.N166 1.Q193 1.L56 1.K276 1.D268 1.H161 1.N166 1.Q193 1.L56 C Shift Assignments>> CA :: 59.484 CB :: 29.641 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 :: 8.295 HA :: 4.237 HB2 :: 2.150 HB3 :: 2.135 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.615 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 Q 0.13 R 0.12 W 0.12 C 0.11 H 0.1 E 0.1 I 0.06 L 0.04 M 0.01 C Shift Assignments>> CA :: 57.719 CB :: 28.376 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 :: 8.032 HA :: 4.332 HB2 :: 2.360 HB3 :: 2.354 HG2 :: 2.633 HG3 :: 2.608 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 :: 116.744 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.23 I 0.02 HN Overlap>> 1.D99 1.D182 1.D99 1.D182 C Shift Assignments>> C :: 174.044 CA :: 64.871 CB :: 31.951 CG1 :: 19.415 CG2 :: 18.442 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 :: 8.187 HA :: 3.933 HB :: 2.140 HG21 :: 0.690 HG22 :: 0.690 HG23 :: 0.690 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.305 Ave N Shift Values>> N :: 121.02(4.96) 1.F250 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.24 I 0.23 C 0.19 E 0.02 L 0.01 HN Overlap>> 1.Q70 1.R58 1.Q70 1.R58 1.F251 1.F251 C Shift Assignments>> CA :: 59.583 CB :: 38.924 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 :: 8.082 HA :: 4.561 HB2 :: 2.949 HB3 :: 2.947 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.479 Ave N Shift Values>> N :: 120.69(4.18) 1.F251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.21 I 0.11 D 0.04 E 0.03 L 0.03 N 0.01 HN Overlap>> 1.F250 1.F250 C Shift Assignments>> CA :: 57.988 CB :: 39.032 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 :: 8.094 HA :: 4.884 HB2 :: 3.489 HB3 :: 3.292 HD1 :: 7.296 HD2 :: 7.296 HE1 :: 7.513 HE2 :: 7.513 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.589 Ave N Shift Values>> N :: 120.69(4.18) 1.G252 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 171.841 CA :: 45.432 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.117 HA2 :: 4.165 HA3 :: 4.067 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.649 Ave N Shift Values>> N :: 109.91(4.29) 1.A253 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 C 0.02 HN Overlap>> 1.W205 1.W205 C Shift Assignments>> C :: 175.669 CA :: 52.869 CB :: 18.714 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.242 HA :: 4.433 HB1 :: 1.589 HB2 :: 1.589 HB3 :: 1.589 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.975 Ave N Shift Values>> N :: 123.23(3.7) 1.G254 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 171.482 CA :: 45.533 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.323 HA2 :: 4.008 HA3 :: 3.989 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.306 Ave N Shift Values>> N :: 109.91(4.29) 1.N255 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.18 C 0.17 Y 0.1 F 0.08 L 0.03 E 0.01 HN Overlap>> 1.R119 1.R119 C Shift Assignments>> C :: 172.224 CA :: 53.782 CB :: 38.726 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 :: 8.135 HA :: 4.773 HB2 :: 2.838 HB3 :: 2.709 HD21 :: 7.531 HD22 :: 6.883 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.725 ND2 :: 112.416 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y256 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.21 I 0.12 D 0.03 E 0.03 L 0.03 N 0.01 HN Overlap>> 1.V37 1.V37 1.E153 1.Y269 1.E153 1.Y269 C Shift Assignments>> C :: 172.519 CA :: 58.192 CB :: 39.071 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 :: 7.995 HA :: 4.595 HB2 :: 3.066 HB3 :: 2.986 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 :: 119.412 Ave N Shift Values>> N :: 120.79(4.69) 1.H257 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 K 0.14 C 0.12 W 0.11 R 0.1 E 0.1 M 0.04 L 0.03 I 0.01 HN Overlap>> 1.S78 1.S78 C Shift Assignments>> CA :: 55.151 CB :: 29.183 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 :: 8.294 HA :: 4.795 HB2 :: 3.319 HB3 :: 3.178 HD2 :: 7.367 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 :: 118.754 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L258 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 A 0.2 L 0.1 G 0.03 C Shift Assignments>> C :: 174.205 CA :: 56.484 CB :: 42.225 CG :: 24.133 CD1 :: 22.271 CD2 :: 20.903 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 :: 8.399 HA :: 4.421 HB2 :: 1.760 HB3 :: 1.717 HG :: 1.717 HD11 :: 1.006 HD12 :: 1.006 HD13 :: 1.006 HD21 :: 0.968 HD22 :: 0.968 HD23 :: 0.968 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.153 Ave N Shift Values>> N :: 121.98(4.07) 1.V259 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.11 V 0.1 C Shift Assignments>> C :: 172.834 CA :: 61.516 CB :: 32.274 CG1 :: 18.307 CG2 :: 17.428 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 :: 7.898 HA :: 4.321 HB :: 2.195 HG11 :: 0.978 HG12 :: 0.978 HG13 :: 0.978 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.262 Ave N Shift Values>> N :: 121.02(4.96) 1.D260 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.19 L 0.13 C 0.12 F 0.09 Y 0.08 K 0.05 C Shift Assignments>> C :: 173.936 CA :: 53.946 CB :: 40.420 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 :: 4.758 HB2 :: 2.904 HB3 :: 2.893 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 :: 122.340 Ave N Shift Values>> N :: 120.73(4.2) 1.E261 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.13 W 0.12 E 0.11 C 0.11 R 0.09 L 0.03 M 0.03 I 0.02 C Shift Assignments>> C :: 173.606 CA :: 56.616 CB :: 28.894 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 :: 8.487 HA :: 4.314 HB2 :: 2.105 HB3 :: 2.059 HG2 :: 2.418 HG3 :: 2.412 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 :: 119.720 Ave N Shift Values>> N :: 120.68(3.68) 1.N262 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.2 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 171.867 CA :: 53.419 CB :: 38.951 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 :: 8.443 HA :: 4.831 HB2 :: 2.918 HB3 :: 2.829 HD21 :: 6.949 HD22 :: 7.730 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.688 ND2 :: 113.463 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F263 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 C 0.22 I 0.1 E 0.05 D 0.04 L 0.02 N 0.02 HN Overlap>> 1.L181 1.I155 1.L181 1.I155 C Shift Assignments>> C :: 171.836 CA :: 57.695 CB :: 38.722 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 :: 8.012 HA :: 4.655 HB2 :: 3.246 HB3 :: 3.171 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 :: 119.916 Ave N Shift Values>> N :: 120.69(4.18) 1.D264 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.31 C 0.12 L 0.1 F 0.04 Y 0.04 K 0.02 C Shift Assignments>> C :: 171.084 CA :: 52.050 CB :: 40.444 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 :: 8.200 HA :: 4.995 HB2 :: 2.827 HB3 :: 2.657 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 :: 123.744 Ave N Shift Values>> N :: 120.73(4.2) 1.P265 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.475 HB2 :: 2.235 HB3 :: 1.973 HD2 :: 3.621 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L266 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 C 0.1 E 0.09 Y 0.09 F 0.08 R 0.08 K 0.07 S 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 HN Overlap>> 1.I83 1.A225 1.A69 1.I83 1.A225 1.A69 C Shift Assignments>> CA :: 57.646 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 :: 8.105 HA :: 4.619 HB2 :: 1.741 HB3 :: 1.588 HG :: 1.557 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.918 HD22 :: 0.918 HD23 :: 0.918 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 :: 121.668 Ave N Shift Values>> N :: 121.98(4.07) 1.P267 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.554 HB2 :: 2.326 HB3 :: 2.326 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) 1.D268 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.16 Y 0.15 C 0.14 L 0.13 N 0.07 K 0.07 I 0.02 HN Overlap>> 1.R247 1.R247 1.S211 1.F275 1.D179 1.S211 1.F275 1.D179 C Shift Assignments>> C :: 174.369 CA :: 55.823 CB :: 40.314 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 :: 8.350 HA :: 4.553 HB2 :: 2.810 HB3 :: 2.760 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 :: 117.540 Ave N Shift Values>> N :: 120.73(4.2) 1.Y269 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Y163 1.Y256 1.V194 1.E153 1.Y163 1.Y256 1.V194 1.E153 H Shift Assignments>> H :: 8.068 HA :: 4.598 HB2 :: 3.316 HB3 :: 3.039 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 :: 119.465 Ave N Shift Values>> N :: 120.79(4.69) 1.W270 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 173.297 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.993 HA :: 4.342 HB2 :: 3.389 HB3 :: 3.382 HD1 :: 7.414 HE1 :: 10.484 HZ2 :: 7.547 HH2 :: 6.731 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.403 NE1 :: 129.569 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L271 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 L 0.06 A 0.04 C Shift Assignments>> CA :: 57.758 CB :: 41.231 CG :: 23.970 CD1 :: 21.711 CD2 :: 21.471 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 :: 7.451 HA :: 4.041 HB2 :: 1.485 HB3 :: 1.318 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.938 HD22 :: 0.938 HD23 :: 0.938 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 :: 119.506 Ave N Shift Values>> N :: 121.98(4.07) 1.S272 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.773 CA :: 61.098 CB :: 62.922 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.782 HA :: 4.284 HB2 :: 4.107 HB3 :: 4.074 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 :: 113.588 Ave N Shift Values>> N :: 116.3(3.95) 1.L273 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 L 0.07 A 0.06 G 0.02 C Shift Assignments>> CA :: 57.989 CB :: 41.847 CG :: 24.211 CD1 :: 22.149 CD2 :: 20.781 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 :: 7.796 HA :: 4.167 HB2 :: 1.932 HB3 :: 1.742 HG :: 1.694 HD11 :: 0.963 HD12 :: 0.963 HD13 :: 0.963 HD21 :: 0.963 HD22 :: 0.963 HD23 :: 0.963 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 :: 121.468 Ave N Shift Values>> N :: 121.98(4.07) 1.L274 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 L 0.13 A 0.06 HN Overlap>> 1.V37 1.V37 C Shift Assignments>> CA :: 57.205 CB :: 41.173 CG :: 24.134 CD1 :: 22.226 CD2 :: 21.673 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 :: 8.076 HA :: 4.120 HB2 :: 1.880 HB3 :: 1.838 HG :: 1.822 HD11 :: 1.053 HD12 :: 1.053 HD13 :: 1.053 HD21 :: 0.977 HD22 :: 0.977 HD23 :: 0.977 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 :: 119.280 Ave N Shift Values>> N :: 121.98(4.07) 1.F275 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 Y 0.18 F 0.18 C 0.17 E 0.01 HN Overlap>> 1.D268 1.S211 1.D268 1.S211 1.S34 1.D179 1.S34 1.D179 C Shift Assignments>> C :: 174.806 CA :: 61.378 CB :: 38.729 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 :: 8.371 HA :: 4.309 HB2 :: 3.364 HB3 :: 3.256 HD1 :: 7.349 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 :: 117.460 Ave N Shift Values>> N :: 120.69(4.18) 1.K276 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 V 0.04 M 0.01 K 0.01 HN Overlap>> 1.K145 1.R247 1.K145 1.R247 1.N166 1.Q193 1.M240 1.L56 1.N166 1.Q193 1.M240 1.L56 C Shift Assignments>> C :: 176.079 CA :: 59.375 CB :: 32.112 CG :: 22.668 CD :: 26.433 CE :: 39.048 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 :: 8.202 HA :: 4.102 HB2 :: 2.107 HB3 :: 2.054 HG2 :: 1.602 HG3 :: 1.608 HD2 :: 1.847 HD3 :: 1.816 HE2 :: 3.110 HE3 :: 3.110 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.567 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K277 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.04 V 0.03 A 0.02 HN Overlap>> 1.K116 1.I50 1.K120 1.K116 1.I50 1.K120 C Shift Assignments>> C :: 175.441 CA :: 57.514 CB :: 32.315 CG :: 21.970 CD :: 25.992 CE :: 38.994 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 :: 7.960 HA :: 4.302 HB2 :: 2.114 HB3 :: 2.098 HG2 :: 1.645 HG3 :: 1.640 HD2 :: 1.833 HD3 :: 1.817 HE2 :: 3.114 HE3 :: 3.114 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.782 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L278 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.19 L 0.09 G 0.03 HN Overlap>> 1.K116 1.K116 1.R119 1.R119 C Shift Assignments>> C :: 175.000 CA :: 56.651 CB :: 42.143 CG :: 24.099 CD1 :: 22.207 CD2 :: 20.832 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 :: 4.309 HB2 :: 1.975 HB3 :: 1.701 HG :: 1.658 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 HD21 :: 0.960 HD22 :: 0.960 HD23 :: 0.960 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 :: 117.596 Ave N Shift Values>> N :: 121.98(4.07) 1.V279 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.23 I 0.09 C Shift Assignments>> C :: 174.282 CA :: 62.553 CB :: 32.177 CG1 :: 18.442 CG2 :: 17.871 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 :: 7.878 HA :: 4.241 HB :: 2.104 HG11 :: 0.891 HG12 :: 0.891 HG13 :: 0.891 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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 :: 113.504 Ave N Shift Values>> N :: 121.02(4.96) 1.G280 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 171.778 CA :: 45.514 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.911 HA2 :: 4.093 HA3 :: 4.143 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.046 Ave N Shift Values>> N :: 109.91(4.29) 1.T281 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.07 C Shift Assignments>> CA :: 61.780 CB :: 69.192 CG2 :: 19.211 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 :: 8.028 HA :: 4.494 HB :: 4.241 HG1 :: 4.667 HG21 :: 1.170 HG22 :: 1.170 HG23 :: 1.170 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 :: 113.586 Ave N Shift Values>> N :: 115.7(5.05) 1.K282 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.08 M 0.04 V 0.01 C Shift Assignments>> C :: 178.702 CA :: 56.258 CB :: 32.676 CG :: 21.868 CD :: 26.089 CE :: 39.053 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 :: 7.980 HA :: 4.331 HB2 :: 1.978 HB3 :: 1.969 HG2 :: 1.540 HG3 :: 1.534 HD2 :: 1.843 HD3 :: 1.838 HE2 :: 3.109 HE3 :: 3.109 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 :: 128.579 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 281 #Clerical: 0 #Suspicious: 0 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 237 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 45 Shift Relative Order (SRO) Results: #Consistent: 282 #Suspicious: 0 C Shift Results: #Consistent: 797 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1644 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 N Shift Results: #Consistent: 258 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.C76 HG = 3.128(A), Expected = 1.66, Std = 0.4800, ChiSquare = 2.2257e-03