Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 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.S4 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.H10 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.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F73 1.F73 C Shift Assignments>> C :: 174.925 CA :: 58.683 CB :: 63.761 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.475 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.068 Ave N Shift Values>> N :: 116.28(3.52) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.793 CA :: 45.195 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.380 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.467 Ave N Shift Values>> N :: 109.67(3.87) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.18 K 0.16 R 0.15 F 0.07 Y 0.05 C 0.04 N 0.01 C Shift Assignments>> C :: 177.127 CA :: 55.059 CB :: 42.423 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.038 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.408 Ave N Shift Values>> N :: 121.86(3.9) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.19 K 0.13 R 0.08 M 0.08 H 0.06 E 0.06 Q 0.05 P 0.01 HN Overlap>> 1.Y89 1.Y89 C Shift Assignments>> C :: 174.360 CA :: 59.728 CB :: 32.420 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.091 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.503 Ave N Shift Values>> N :: 121.14(4.54) 1.P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.11 Q 0.1 R 0.1 K 0.09 L 0.09 E 0.07 C 0.06 F 0.05 Y 0.05 D 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.301 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.467 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.891 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.177 CA :: 45.195 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.469 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.296 Ave N Shift Values>> N :: 109.67(3.87) 1.S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.18 R 0.16 Q 0.16 E 0.15 C 0.13 K 0.09 M 0.08 C Shift Assignments>> C :: 174.891 CA :: 55.894 CB :: 30.086 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.32 Q 0.17 K 0.04 HN Overlap>> 1.E154 1.A33 1.E154 1.A33 C Shift Assignments>> C :: 176.046 CA :: 55.537 CB :: 32.640 CG :: 31.579 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.240 HA :: 4.447 HB2 :: 1.984 HB3 :: 1.900 HG2 :: 2.424 HG3 :: 2.361 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.338 Ave N Shift Values>> N :: 120.09(3.57) 1.T22 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>> C :: 174.493 CA :: 61.803 CB :: 69.899 CG2 :: 21.200 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.204 HA :: 4.333 HB :: 4.208 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.858 Ave N Shift Values>> N :: 115.42(4.75) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.244 CA :: 62.709 CB :: 32.503 CG1 :: 20.644 CG2 :: 20.644 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.221 HA :: 4.031 HB :: 2.021 HG11 :: 0.885 HG12 :: 0.885 HG13 :: 0.885 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.248 Ave N Shift Values>> N :: 121.14(4.54) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.1 Q 0.09 M 0.06 I 0.03 C Shift Assignments>> C :: 176.744 CA :: 57.072 CB :: 29.889 CG :: 35.956 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.500 HA :: 4.177 HB2 :: 1.969 HB3 :: 1.906 HG2 :: 2.214 HG3 :: 2.214 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.001 Ave N Shift Values>> N :: 120.67(3.48) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.28 C 0.24 M 0.07 E 0.04 R 0.04 HN Overlap>> 1.Q30 1.N51 1.Q30 1.N51 C Shift Assignments>> C :: 176.060 CA :: 56.294 CB :: 29.336 CG :: 33.475 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.348 HA :: 4.208 HB2 :: 2.030 HB3 :: 1.950 HG2 :: 2.309 HG3 :: 2.214 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.950 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.15 C 0.11 Y 0.09 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 175.677 CA :: 53.794 CB :: 38.558 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.479 HA :: 4.604 HB2 :: 2.822 HB3 :: 2.728 HD21 :: 6.892 HD22 :: 7.563 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.720 ND2 :: 112.653 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 HN Overlap>> 1.N64 1.N64 C Shift Assignments>> C :: 176.811 CA :: 63.380 CB :: 31.920 CG1 :: 20.642 CG2 :: 20.629 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.071 HA :: 3.948 HB :: 2.047 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.157 Ave N Shift Values>> N :: 121.14(4.54) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.31 A 0.01 R 0.01 HN Overlap>> 1.A148 1.A155 1.A148 1.A155 C Shift Assignments>> C :: 177.942 CA :: 55.932 CB :: 41.892 CG :: 26.666 CD1 :: 24.474 CD2 :: 23.384 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.147 HA :: 4.229 HB2 :: 1.635 HB3 :: 1.510 HG :: 1.589 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.803 HD22 :: 0.803 HD23 :: 0.803 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.920 Ave N Shift Values>> N :: 121.86(3.9) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.28 C 0.24 R 0.07 M 0.05 E 0.04 HN Overlap>> 1.D121 1.Q43 1.D121 1.Q43 C Shift Assignments>> C :: 176.575 CA :: 56.368 CB :: 28.806 CG :: 33.485 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.226 HA :: 4.208 HB2 :: 2.052 HB3 :: 1.952 HG2 :: 2.319 HG3 :: 2.214 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.491 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.28 C 0.25 M 0.07 E 0.04 R 0.04 HN Overlap>> 1.Q25 1.Q25 1.N51 1.N51 C Shift Assignments>> C :: 176.658 CA :: 56.528 CB :: 29.306 CG :: 33.480 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.301 HA :: 4.260 HB2 :: 2.052 HB3 :: 1.979 HG2 :: 2.309 HG3 :: 2.225 HE21 :: 6.747 HE22 :: 7.177 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.944 NE2 :: 110.617 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 175.160 CA :: 58.784 CB :: 63.814 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.414 HA :: 4.343 HB2 :: 3.875 HB3 :: 3.875 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.940 Ave N Shift Values>> N :: 116.28(3.52) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.32 C 0.02 I 0.01 C Shift Assignments>> C :: 178.928 CA :: 54.053 CB :: 18.470 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.399 HA :: 4.125 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.154 Ave N Shift Values>> N :: 123.23(3.54) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.31 C 0.02 HN Overlap>> 1.M21 1.M21 C Shift Assignments>> C :: 179.378 CA :: 53.960 CB :: 18.470 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.178 HA :: 4.167 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.251 Ave N Shift Values>> N :: 123.23(3.54) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 Q 0.27 C 0.27 R 0.08 E 0.04 M 0.03 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 177.627 CA :: 57.442 CB :: 28.639 CG :: 33.497 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.023 HA :: 4.226 HB2 :: 2.068 HB3 :: 1.963 HG2 :: 2.319 HG3 :: 2.228 HE21 :: 6.625 HE22 :: 7.120 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.518 NE2 :: 109.806 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.08 HN Overlap>> 1.N51 1.K119 1.N51 1.K119 C Shift Assignments>> C :: 178.063 CA :: 58.361 CB :: 32.390 CG :: 24.468 CD :: 28.582 CE :: 41.453 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.161 HA :: 4.062 HB2 :: 1.750 HB3 :: 1.750 HG2 :: 1.376 HG3 :: 1.376 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.927 HE3 :: 2.927 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.934 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 C 0.16 H 0.15 R 0.14 Q 0.14 K 0.11 M 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 176.694 CA :: 57.828 CB :: 29.889 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.201 HA :: 4.458 HB2 :: 3.115 HB3 :: 3.115 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.064 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.27 Q 0.26 R 0.08 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 177.120 CA :: 58.314 CB :: 28.550 CG :: 33.491 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.133 HA :: 4.146 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 2.214 HG3 :: 2.309 HE21 :: 7.188 HE22 :: 6.706 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.690 NE2 :: 110.615 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 R 0.07 E 0.05 M 0.02 I 0.01 HN Overlap>> 1.L44 1.L41 1.L44 1.L41 C Shift Assignments>> C :: 177.811 CA :: 58.171 CB :: 28.419 CG :: 33.751 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.305 HA :: 4.052 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.382 HG3 :: 2.340 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.962 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.T92 1.T92 C Shift Assignments>> C :: 176.058 CA :: 65.326 CB :: 69.096 CG2 :: 21.194 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.116 HA :: 4.020 HB :: 4.240 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.310 Ave N Shift Values>> N :: 115.42(4.75) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 Y 0.24 F 0.21 C 0.18 E 0.01 HN Overlap>> 1.I157 1.A70 1.I157 1.A70 C Shift Assignments>> C :: 177.380 CA :: 60.226 CB :: 38.672 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.067 HA :: 4.323 HB2 :: 3.147 HB3 :: 3.042 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.224 Ave N Shift Values>> N :: 120.45(4.18) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.45 HN Overlap>> 1.L44 1.L44 1.Q38 1.Q38 C Shift Assignments>> C :: 178.811 CA :: 58.795 CB :: 41.256 CG :: 26.669 CD1 :: 24.477 CD2 :: 23.420 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.309 HA :: 3.886 HB2 :: 1.479 HB3 :: 1.479 HG :: 1.586 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.017 Ave N Shift Values>> N :: 121.86(3.9) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.2 F 0.15 E 0.14 N 0.12 M 0.04 I 0.04 D 0.04 L 0.01 C Shift Assignments>> C :: 178.128 CA :: 56.133 CB :: 37.641 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.214 HA :: 4.531 HB2 :: 2.927 HB3 :: 2.927 HD21 :: 6.998 HD22 :: 7.657 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.039 ND2 :: 112.429 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.25 Q 0.23 E 0.05 R 0.05 I 0.02 M 0.01 HN Overlap>> 1.Q29 1.D121 1.D120 1.Q29 1.D121 1.D120 C Shift Assignments>> C :: 178.197 CA :: 59.304 CB :: 28.669 CG :: 33.780 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.225 HA :: 4.042 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 2.393 HG3 :: 2.319 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.530 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.01 G 0.01 HN Overlap>> 1.L41 1.Q38 1.L41 1.Q38 C Shift Assignments>> C :: 180.261 CA :: 57.811 CB :: 42.256 CG :: 26.715 CD1 :: 24.471 CD2 :: 23.143 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.414 HA :: 3.833 HB2 :: 1.583 HB3 :: 1.583 HG :: 1.544 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.986 Ave N Shift Values>> N :: 121.86(3.9) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 K 0.06 G 0.04 C Shift Assignments>> C :: 178.694 CA :: 59.488 CB :: 30.306 CG :: 26.658 CD :: 43.048 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.356 HA :: 4.094 HB2 :: 1.594 HB3 :: 1.594 HG2 :: 1.376 HG3 :: 1.376 HD2 :: 3.032 HD3 :: 3.032 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.507 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 I 0.13 K 0.09 Q 0.05 M 0.01 C Shift Assignments>> C :: 178.911 CA :: 59.295 CB :: 29.419 CG :: 35.960 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.906 HA :: 3.875 HB2 :: 2.094 HB3 :: 2.094 HG2 :: 2.309 HG3 :: 2.204 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.866 Ave N Shift Values>> N :: 120.67(3.48) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.128 CA :: 64.663 CB :: 39.755 CG1 :: 28.588 CG2 :: 17.573 CD1 :: 14.086 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.235 HA :: 3.750 HB :: 1.573 HG12 :: 0.991 HG13 :: 0.991 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.811 Ave N Shift Values>> N :: 121.46(4.28) 1.T48 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 :: 176.360 CA :: 63.078 CB :: 71.763 CG2 :: 21.744 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.833 HA :: 4.240 HB :: 4.094 HG21 :: 1.261 HG22 :: 1.261 HG23 :: 1.261 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.303 Ave N Shift Values>> N :: 115.42(4.75) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.610 CA :: 45.799 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.207 HA2 :: 4.052 HA3 :: 3.771 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.540 Ave N Shift Values>> N :: 109.67(3.87) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 173.860 CA :: 61.199 CB :: 38.088 CG1 :: 26.655 CG2 :: 17.079 CD1 :: 12.478 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.653 HA :: 4.125 HB :: 1.764 HG12 :: 1.387 HG13 :: 1.093 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.463 Ave N Shift Values>> N :: 121.46(4.28) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.3 L 0.09 C 0.06 F 0.05 Y 0.04 HN Overlap>> 1.Q25 1.Q30 1.K35 1.Q25 1.Q30 1.K35 1.K119 1.K119 C Shift Assignments>> C :: 175.260 CA :: 52.442 CB :: 39.975 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.258 HA :: 4.729 HB2 :: 2.719 HB3 :: 2.615 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.987 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.11 K 0.1 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.996 CA :: 53.994 CB :: 41.256 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.916 HA :: 4.573 HB2 :: 2.719 HB3 :: 2.573 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.052 Ave N Shift Values>> N :: 120.65(3.86) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.746 CA :: 66.299 CB :: 68.649 CG2 :: 21.717 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.641 HA :: 3.719 HB :: 4.146 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.348 Ave N Shift Values>> N :: 115.42(4.75) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.21 K 0.18 R 0.09 I 0.03 E 0.03 HN Overlap>> 1.D117 1.E146 1.D117 1.E146 C Shift Assignments>> C :: 179.114 CA :: 59.395 CB :: 27.752 CG :: 33.768 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.326 HA :: 4.063 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 2.403 HG3 :: 2.319 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.713 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 179.042 CA :: 64.186 CB :: 37.838 CG1 :: 27.203 CG2 :: 17.078 CD1 :: 12.532 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.523 HA :: 3.771 HB :: 1.865 HG12 :: 1.135 HG13 :: 1.135 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.228 Ave N Shift Values>> N :: 121.46(4.28) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 G 0.02 R 0.01 C Shift Assignments>> C :: 178.447 CA :: 58.161 CB :: 42.506 CG :: 26.675 CD1 :: 24.476 CD2 :: 23.418 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.802 HA :: 3.896 HB2 :: 1.583 HB3 :: 1.583 HG :: 1.533 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.524 Ave N Shift Values>> N :: 121.86(3.9) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.27 I 0.19 K 0.09 Q 0.06 C Shift Assignments>> C :: 179.114 CA :: 59.086 CB :: 28.252 CG :: 35.944 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.507 HA :: 3.906 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 2.309 HG3 :: 2.204 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.417 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.25 K 0.21 R 0.1 E 0.04 I 0.02 M 0.01 HN Overlap>> 1.R124 1.V111 1.R124 1.V111 C Shift Assignments>> C :: 177.246 CA :: 58.428 CB :: 27.836 CG :: 33.773 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.986 HA :: 3.866 HB2 :: 2.070 HB3 :: 2.070 HG2 :: 2.393 HG3 :: 2.319 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.445 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 I 0.03 C 0.02 C Shift Assignments>> C :: 180.564 CA :: 54.992 CB :: 18.220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.879 HA :: 4.167 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.337 Ave N Shift Values>> N :: 123.23(3.54) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 C Shift Assignments>> C :: 178.747 CA :: 58.161 CB :: 41.339 CG :: 26.644 CD1 :: 24.479 CD2 :: 23.409 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.925 HA :: 3.844 HB2 :: 1.550 HB3 :: 1.550 HG :: 1.596 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.590 Ave N Shift Values>> N :: 121.86(3.9) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.44 R 0.06 HN Overlap>> 1.Y90 1.Y90 C Shift Assignments>> C :: 180.364 CA :: 59.555 CB :: 31.837 CG :: 24.468 CD :: 28.801 CE :: 41.433 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.945 HA :: 3.990 HB2 :: 1.875 HB3 :: 1.875 HG2 :: 1.439 HG3 :: 1.355 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.906 HE3 :: 2.906 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.239 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.12 L 0.12 C 0.11 I 0.05 K 0.04 N 0.02 C Shift Assignments>> C :: 177.497 CA :: 57.170 CB :: 40.339 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.852 HA :: 4.323 HB2 :: 2.448 HB3 :: 2.302 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.714 Ave N Shift Values>> N :: 120.65(3.86) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.313 CA :: 58.549 CB :: 64.678 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.966 HA :: 4.375 HB2 :: 3.797 HB3 :: 3.755 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.724 Ave N Shift Values>> N :: 116.28(3.52) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.18 Y 0.1 E 0.09 F 0.07 M 0.05 D 0.05 L 0.01 HN Overlap>> 1.R99 1.V27 1.R99 1.V27 1.L128 1.L128 C Shift Assignments>> C :: 175.346 CA :: 54.153 CB :: 37.391 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.093 HA :: 4.396 HB2 :: 3.115 HB3 :: 2.688 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.089 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.543 CA :: 45.866 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.332 HA2 :: 3.917 HA3 :: 3.042 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.598 Ave N Shift Values>> N :: 109.67(3.87) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.23 C 0.07 L 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.077 CA :: 52.660 CB :: 39.338 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.270 HA :: 4.636 HB2 :: 2.801 HB3 :: 2.728 HD21 :: 6.934 HD22 :: 7.605 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.219 ND2 :: 112.660 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.42 R 0.01 C Shift Assignments>> C :: 177.127 CA :: 58.760 CB :: 41.839 CG :: 26.660 CD1 :: 25.020 CD2 :: 23.460 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.830 HA :: 3.740 HB2 :: 1.575 HB3 :: 1.510 HG :: 1.334 HD11 :: 0.580 HD12 :: 0.580 HD13 :: 0.580 HD21 :: 0.454 HD22 :: 0.454 HD23 :: 0.454 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.689 Ave N Shift Values>> N :: 121.86(3.9) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.36 E 0.2 K 0.03 C Shift Assignments>> C :: 179.928 CA :: 60.361 CB :: 28.586 CG :: 36.758 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.280 HA :: 3.740 HB2 :: 2.068 HB3 :: 1.942 HG2 :: 2.319 HG3 :: 2.214 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.539 Ave N Shift Values>> N :: 120.67(3.48) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.44 HN Overlap>> 1.R135 1.R135 C Shift Assignments>> C :: 177.913 CA :: 56.870 CB :: 38.558 CG :: 26.657 CD1 :: 24.480 CD2 :: 23.329 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.963 HA :: 4.302 HB2 :: 1.797 HB3 :: 1.797 HG :: 1.591 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.929 Ave N Shift Values>> N :: 121.86(3.9) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.31 I 0.06 C 0.03 HN Overlap>> 1.L122 1.F40 1.L122 1.F40 C Shift Assignments>> C :: 179.414 CA :: 55.730 CB :: 18.303 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.091 HA :: 3.969 HB1 :: 1.469 HB2 :: 1.469 HB3 :: 1.469 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.298 Ave N Shift Values>> N :: 123.23(3.54) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.S31 1.S31 C Shift Assignments>> C :: 179.228 CA :: 67.105 CB :: 31.587 CG1 :: 23.927 CG2 :: 21.212 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.399 HA :: 3.229 HB :: 2.052 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.896 Ave N Shift Values>> N :: 121.14(4.54) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.24 I 0.05 C 0.02 C Shift Assignments>> C :: 180.578 CA :: 55.461 CB :: 17.416 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.708 HA :: 4.011 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.313 Ave N Shift Values>> N :: 123.23(3.54) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 I 0.23 C 0.21 F 0.2 E 0.04 HN Overlap>> 1.S12 1.S12 C Shift Assignments>> C :: 178.776 CA :: 59.354 CB :: 38.172 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.416 HA :: 4.410 HB2 :: 3.302 HB3 :: 3.302 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.113 Ave N Shift Values>> N :: 120.45(4.18) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.34 R 0.01 G 0.01 C Shift Assignments>> C :: 178.513 CA :: 56.661 CB :: 42.309 CG :: 26.663 CD1 :: 24.476 CD2 :: 23.409 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.031 HA :: 4.156 HB2 :: 1.594 HB3 :: 1.594 HG :: 1.594 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.862 Ave N Shift Values>> N :: 121.86(3.9) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.163 CA :: 63.414 CB :: 69.816 CG2 :: 21.197 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.097 HA :: 4.281 HB :: 4.229 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.572 Ave N Shift Values>> N :: 115.42(4.75) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.01 C Shift Assignments>> C :: 178.363 CA :: 53.560 CB :: 18.470 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.746 HA :: 4.208 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.931 Ave N Shift Values>> N :: 123.23(3.54) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.42 R 0.1 HN Overlap>> 1.Q34 1.Q34 C Shift Assignments>> C :: 176.730 CA :: 56.771 CB :: 32.253 CG :: 24.470 CD :: 28.600 CE :: 41.455 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.003 HA :: 4.177 HB2 :: 1.750 HB3 :: 1.750 HG2 :: 1.408 HG3 :: 1.355 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.916 HE3 :: 2.916 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.518 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 174.812 CA :: 53.193 CB :: 38.755 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.099 HA :: 4.636 HB2 :: 2.801 HB3 :: 2.688 HD21 :: 6.872 HD22 :: 7.594 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.130 ND2 :: 112.514 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.480 CA :: 52.644 CB :: 19.303 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.031 HA :: 4.229 HB1 :: 1.355 HB2 :: 1.355 HB3 :: 1.355 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.758 Ave N Shift Values>> N :: 123.23(3.54) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.4 R 0.07 HN Overlap>> 1.N134 1.Q147 1.N134 1.Q147 C Shift Assignments>> C :: 176.530 CA :: 55.999 CB :: 32.890 CG :: 24.464 CD :: 28.826 CE :: 41.489 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.225 HA :: 4.323 HB2 :: 1.760 HB3 :: 1.760 HG2 :: 1.397 HG3 :: 1.345 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.916 HE3 :: 2.916 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.079 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> C :: 172.912 CA :: 59.857 CB :: 69.566 CG2 :: 21.193 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.146 HA :: 4.542 HB :: 4.177 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.462 Ave N Shift Values>> N :: 115.42(4.75) 1.P82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 M 0.06 E 0.06 R 0.03 C Shift Assignments>> C :: 176.046 CA :: 56.070 CB :: 29.389 CG :: 33.713 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.446 HA :: 4.208 HB2 :: 2.031 HB3 :: 1.937 HG2 :: 2.319 HG3 :: 2.204 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.308 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 M 0.07 E 0.04 R 0.04 HN Overlap>> 1.E154 1.E154 C Shift Assignments>> C :: 175.946 CA :: 56.194 CB :: 29.306 CG :: 33.481 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.363 HA :: 4.229 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 2.319 HG3 :: 2.214 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.408 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.1 Q 0.09 K 0.08 I 0.02 HN Overlap>> 1.Q106 1.E86 1.Q106 1.E86 C Shift Assignments>> C :: 176.444 CA :: 56.670 CB :: 30.223 CG :: 35.957 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.471 HA :: 4.229 HB2 :: 2.010 HB3 :: 1.854 HG2 :: 2.298 HG3 :: 2.204 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.023 Ave N Shift Values>> N :: 120.67(3.48) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.09 Q 0.09 K 0.08 I 0.02 HN Overlap>> 1.Q106 1.Q106 1.E85 1.E85 C Shift Assignments>> C :: 176.694 CA :: 56.670 CB :: 30.139 CG :: 35.956 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.480 HA :: 4.270 HB2 :: 2.021 HB3 :: 1.927 HG2 :: 2.298 HG3 :: 2.225 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.023 Ave N Shift Values>> N :: 120.67(3.48) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.643 CA :: 62.139 CB :: 69.566 CG2 :: 21.169 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.215 HA :: 4.250 HB :: 4.115 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.391 Ave N Shift Values>> N :: 115.42(4.75) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.993 CA :: 62.105 CB :: 69.763 CG2 :: 21.160 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.068 HA :: 4.188 HB :: 4.021 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.566 Ave N Shift Values>> N :: 115.42(4.75) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.13 D 0.03 L 0.02 E 0.02 N 0.01 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 175.260 CA :: 58.045 CB :: 38.725 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.113 HA :: 4.438 HB2 :: 2.833 HB3 :: 2.833 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.581 Ave N Shift Values>> N :: 120.52(4.2) 1.Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.25 C 0.19 I 0.11 E 0.03 D 0.03 L 0.02 N 0.02 M 0.01 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 175.310 CA :: 57.844 CB :: 38.588 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.971 HA :: 4.511 HB2 :: 2.958 HB3 :: 2.813 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.208 Ave N Shift Values>> N :: 120.52(4.2) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 C 0.23 M 0.08 E 0.04 R 0.03 HN Overlap>> 1.K161 1.K161 C Shift Assignments>> C :: 175.708 CA :: 55.827 CB :: 29.503 CG :: 33.497 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.152 HA :: 4.249 HB2 :: 2.021 HB3 :: 1.896 HG2 :: 2.298 HG3 :: 2.235 HE21 :: 6.830 HE22 :: 7.490 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.580 NE2 :: 112.205 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T92 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.T39 1.T39 C Shift Assignments>> C :: 173.910 CA :: 61.870 CB :: 69.763 CG2 :: 21.192 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.054 HA :: 4.125 HB :: 4.198 HG21 :: 1.140 HG22 :: 1.140 HG23 :: 1.140 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.228 Ave N Shift Values>> N :: 115.42(4.75) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> C :: 177.094 CA :: 52.174 CB :: 19.250 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.215 HA :: 4.291 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.265 Ave N Shift Values>> N :: 123.23(3.54) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 C 0.15 A 0.05 HN Overlap>> 1.K165 1.K165 C Shift Assignments>> C :: 175.227 CA :: 52.878 CB :: 41.422 CG :: 26.677 CD1 :: 24.478 CD2 :: 23.410 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.186 HA :: 4.540 HB2 :: 1.512 HB3 :: 1.481 HG :: 1.596 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.889 Ave N Shift Values>> N :: 121.86(3.9) 1.P95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.096 CA :: 45.262 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.438 HA2 :: 3.907 HA3 :: 3.907 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.099 Ave N Shift Values>> N :: 109.67(3.87) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.21 C 0.08 F 0.07 Y 0.07 L 0.06 HN Overlap>> 1.E132 1.E132 C Shift Assignments>> C :: 175.027 CA :: 53.315 CB :: 39.088 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.257 HA :: 4.677 HB2 :: 2.802 HB3 :: 2.688 HD21 :: 6.924 HD22 :: 7.584 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.586 ND2 :: 112.660 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.11 Y 0.08 K 0.08 C 0.06 HN Overlap>> 1.D118 1.D118 C Shift Assignments>> C :: 176.113 CA :: 54.560 CB :: 40.922 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.387 HA :: 4.479 HB2 :: 2.644 HB3 :: 2.592 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.481 Ave N Shift Values>> N :: 120.65(3.86) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 K 0.09 G 0.04 HN Overlap>> 1.N64 1.L128 1.N64 1.L128 C Shift Assignments>> C :: 175.863 CA :: 56.228 CB :: 30.503 CG :: 26.653 CD :: 43.046 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.081 HA :: 4.167 HB2 :: 1.627 HB3 :: 1.627 HG2 :: 1.387 HG3 :: 1.387 HD2 :: 3.042 HD3 :: 3.042 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.011 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.24 C 0.2 I 0.12 E 0.04 D 0.02 L 0.02 N 0.02 M 0.01 HN Overlap>> 1.R124 1.R124 C Shift Assignments>> C :: 175.429 CA :: 57.961 CB :: 38.391 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.126 HA :: 4.511 HB2 :: 2.990 HB3 :: 2.875 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.589 Ave N Shift Values>> N :: 120.52(4.2) 1.I101 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 :: 175.579 CA :: 60.730 CB :: 38.505 CG1 :: 26.658 CG2 :: 17.158 CD1 :: 12.498 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.863 HA :: 4.083 HB :: 1.729 HG12 :: 1.376 HG13 :: 1.083 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.923 Ave N Shift Values>> N :: 121.46(4.28) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.596 CA :: 57.911 CB :: 63.678 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.284 HA :: 4.406 HB2 :: 3.828 HB3 :: 3.781 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.845 Ave N Shift Values>> N :: 116.28(3.52) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.663 CA :: 62.474 CB :: 32.503 CG1 :: 20.643 CG2 :: 20.643 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.187 HA :: 4.094 HB :: 2.052 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.023 Ave N Shift Values>> N :: 121.14(4.54) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.179 CA :: 45.195 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.465 HA2 :: 3.964 HA3 :: 3.938 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.175 Ave N Shift Values>> N :: 109.67(3.87) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S133 1.S133 C Shift Assignments>> C :: 174.646 CA :: 58.343 CB :: 63.845 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.222 HA :: 4.365 HB2 :: 3.839 HB3 :: 3.765 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.540 Ave N Shift Values>> N :: 116.28(3.52) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.29 C 0.23 M 0.06 R 0.05 E 0.04 HN Overlap>> 1.E86 1.E85 1.E86 1.E85 C Shift Assignments>> C :: 175.663 CA :: 55.894 CB :: 29.086 CG :: 33.494 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.459 HA :: 4.281 HB2 :: 2.073 HB3 :: 1.937 HG2 :: 2.309 HG3 :: 2.214 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.036 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.380 CA :: 52.576 CB :: 19.137 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.254 HA :: 4.240 HB1 :: 1.313 HB2 :: 1.313 HB3 :: 1.313 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.662 Ave N Shift Values>> N :: 123.23(3.54) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.12 F 0.1 K 0.08 Y 0.07 C 0.06 HN Overlap>> 1.N160 1.E159 1.N160 1.E159 C Shift Assignments>> C :: 176.496 CA :: 54.327 CB :: 40.922 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.270 HA :: 4.583 HB2 :: 2.688 HB3 :: 2.604 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.477 Ave N Shift Values>> N :: 120.65(3.86) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.312 CA :: 61.904 CB :: 69.763 CG2 :: 21.191 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.026 HA :: 4.111 HB :: 4.229 HG21 :: 1.135 HG22 :: 1.135 HG23 :: 1.135 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.768 Ave N Shift Values>> N :: 115.42(4.75) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.04 HN Overlap>> 1.E145 1.E145 C Shift Assignments>> C :: 174.860 CA :: 53.415 CB :: 38.755 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.453 HA :: 4.677 HB2 :: 2.801 HB3 :: 2.728 HD21 :: 6.924 HD22 :: 7.584 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.245 ND2 :: 112.658 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.R124 1.R124 1.Q58 1.Q58 C Shift Assignments>> C :: 175.929 CA :: 62.441 CB :: 32.337 CG1 :: 20.612 CG2 :: 20.612 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.024 HA :: 4.052 HB :: 2.021 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.479 Ave N Shift Values>> N :: 121.14(4.54) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.A127 1.A127 1.L164 1.L164 C Shift Assignments>> C :: 175.446 CA :: 60.931 CB :: 38.672 CG1 :: 26.659 CG2 :: 17.137 CD1 :: 12.464 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.139 HA :: 4.094 HB :: 1.760 HG12 :: 1.387 HG13 :: 1.083 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.441 Ave N Shift Values>> N :: 121.46(4.28) 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.12 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 176.077 CA :: 53.927 CB :: 41.172 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.370 HA :: 4.594 HB2 :: 2.686 HB3 :: 2.521 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.582 Ave N Shift Values>> N :: 120.65(3.86) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.26 A 0.03 R 0.01 G 0.01 C Shift Assignments>> C :: 177.759 CA :: 55.061 CB :: 42.089 CG :: 26.656 CD1 :: 24.475 CD2 :: 23.193 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.371 HA :: 4.386 HB2 :: 1.583 HB3 :: 1.583 HG :: 1.583 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.140 Ave N Shift Values>> N :: 121.86(3.9) 1.T115 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 :: 175.346 CA :: 62.441 CB :: 70.013 CG2 :: 21.189 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.313 HA :: 4.350 HB :: 4.240 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.595 Ave N Shift Values>> N :: 115.42(4.75) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.929 CA :: 45.430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.375 HA2 :: 3.927 HA3 :: 3.927 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.792 Ave N Shift Values>> N :: 109.67(3.87) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.D120 1.E146 1.Q54 1.D120 1.E146 1.Q54 C Shift Assignments>> C :: 176.113 CA :: 54.527 CB :: 41.256 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.258 HA :: 4.563 HB2 :: 2.688 HB3 :: 2.563 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.686 Ave N Shift Values>> N :: 120.65(3.86) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.1 K 0.08 Y 0.08 C 0.06 HN Overlap>> 1.D98 1.D98 C Shift Assignments>> C :: 176.696 CA :: 54.494 CB :: 40.922 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.389 HA :: 4.521 HB2 :: 2.646 HB3 :: 2.581 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.502 Ave N Shift Values>> N :: 120.65(3.86) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.43 R 0.09 HN Overlap>> 1.K35 1.N51 1.K35 1.N51 C Shift Assignments>> C :: 176.946 CA :: 57.039 CB :: 32.557 CG :: 24.481 CD :: 28.575 CE :: 41.496 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.167 HA :: 4.094 HB2 :: 1.781 HB3 :: 1.781 HG2 :: 1.397 HG3 :: 1.355 HD2 :: 1.596 HD3 :: 1.596 HE2 :: 2.916 HE3 :: 2.916 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.922 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 F 0.12 K 0.1 Y 0.09 N 0.08 C 0.06 R 0.01 HN Overlap>> 1.D117 1.D121 1.D117 1.D121 1.Q43 1.Q43 C Shift Assignments>> C :: 176.680 CA :: 55.026 CB :: 41.006 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.251 HA :: 4.521 HB2 :: 2.667 HB3 :: 2.581 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.604 Ave N Shift Values>> N :: 120.65(3.86) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 F 0.15 K 0.12 Y 0.12 C 0.07 N 0.05 I 0.01 R 0.01 HN Overlap>> 1.Q29 1.Q29 1.D120 1.Q43 1.D120 1.Q43 C Shift Assignments>> C :: 177.680 CA :: 55.794 CB :: 41.006 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.235 HA :: 4.427 HB2 :: 2.646 HB3 :: 2.646 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.501 Ave N Shift Values>> N :: 120.65(3.86) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.37 HN Overlap>> 1.A70 1.A70 C Shift Assignments>> C :: 178.559 CA :: 57.106 CB :: 41.339 CG :: 26.662 CD1 :: 24.483 CD2 :: 23.379 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.152 HA :: 4.156 HB2 :: 1.698 HB3 :: 1.635 HG :: 1.586 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.350 Ave N Shift Values>> N :: 121.86(3.9) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.25 R 0.1 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 178.063 CA :: 57.811 CB :: 28.252 CG :: 33.563 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.208 HA :: 4.042 HB2 :: 2.083 HB3 :: 2.083 HG2 :: 2.340 HG3 :: 2.340 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.083 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 K 0.09 G 0.03 HN Overlap>> 1.Y100 1.V111 1.Q58 1.Y100 1.V111 1.Q58 C Shift Assignments>> C :: 177.313 CA :: 58.180 CB :: 30.086 CG :: 26.679 CD :: 43.050 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.081 HA :: 4.083 HB2 :: 1.823 HB3 :: 1.823 HG2 :: 1.628 HG3 :: 1.565 HD2 :: 3.137 HD3 :: 3.137 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.491 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.35 C 0.02 I 0.01 HN Overlap>> 1.A131 1.A131 C Shift Assignments>> C :: 179.780 CA :: 54.194 CB :: 18.387 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.973 HA :: 4.136 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.703 Ave N Shift Values>> N :: 123.23(3.54) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.513 CA :: 63.313 CB :: 38.225 CG1 :: 27.220 CG2 :: 16.821 CD1 :: 12.960 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.084 HA :: 3.823 HB :: 1.823 HG12 :: 1.470 HG13 :: 1.125 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.825 Ave N Shift Values>> N :: 121.46(4.28) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.36 C 0.02 I 0.01 HN Overlap>> 1.I112 1.I112 C Shift Assignments>> C :: 179.580 CA :: 54.153 CB :: 18.333 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.058 HA :: 4.125 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.446 Ave N Shift Values>> N :: 123.23(3.54) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.34 HN Overlap>> 1.R99 1.N64 1.R99 1.N64 C Shift Assignments>> C :: 178.497 CA :: 56.603 CB :: 41.839 CG :: 26.662 CD1 :: 24.475 CD2 :: 23.478 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.120 HA :: 4.239 HB2 :: 1.708 HB3 :: 1.573 HG :: 1.586 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.029 Ave N Shift Values>> N :: 121.86(3.9) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.929 CA :: 59.857 CB :: 63.261 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.050 HA :: 4.302 HB2 :: 3.912 HB3 :: 3.912 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.677 Ave N Shift Values>> N :: 116.28(3.52) 1.L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.33 R 0.01 A 0.01 C Shift Assignments>> C :: 178.180 CA :: 56.301 CB :: 41.922 CG :: 26.664 CD1 :: 24.469 CD2 :: 23.390 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.112 HA :: 4.219 HB2 :: 1.687 HB3 :: 1.552 HG :: 1.586 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.126 Ave N Shift Values>> N :: 121.86(3.9) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.28 C 0.01 HN Overlap>> 1.A125 1.A125 C Shift Assignments>> C :: 179.094 CA :: 53.760 CB :: 18.470 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.975 HA :: 4.177 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.648 Ave N Shift Values>> N :: 123.23(3.54) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.1 Q 0.08 M 0.05 I 0.05 HN Overlap>> 1.N97 1.N97 C Shift Assignments>> C :: 177.563 CA :: 57.561 CB :: 29.753 CG :: 35.947 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.151 HA :: 4.167 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 2.277 HG3 :: 2.225 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.594 Ave N Shift Values>> N :: 120.67(3.48) 1.S133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S105 1.S105 C Shift Assignments>> C :: 177.580 CA :: 59.589 CB :: 63.428 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.158 HA :: 4.313 HB2 :: 3.901 HB3 :: 3.901 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.613 Ave N Shift Values>> N :: 116.28(3.52) 1.N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.14 C 0.11 Y 0.09 F 0.08 L 0.04 E 0.01 M 0.01 HN Overlap>> 1.Q147 1.K80 1.Q147 1.K80 C Shift Assignments>> C :: 175.613 CA :: 53.717 CB :: 38.475 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.246 HA :: 4.667 HB2 :: 2.812 HB3 :: 2.749 HD21 :: 6.924 HD22 :: 7.594 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.043 ND2 :: 112.661 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.4 K 0.08 G 0.04 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 176.277 CA :: 57.005 CB :: 30.420 CG :: 26.661 CD :: 43.057 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.019 HA :: 4.167 HB2 :: 1.781 HB3 :: 1.781 HG2 :: 1.638 HG3 :: 1.544 HD2 :: 3.137 HD3 :: 3.137 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.927 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 177.763 CA :: 52.869 CB :: 18.887 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.136 HA :: 4.188 HB1 :: 1.272 HB2 :: 1.272 HB3 :: 1.272 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.318 Ave N Shift Values>> N :: 123.23(3.54) 1.F137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 C 0.16 I 0.12 D 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 175.813 CA :: 58.128 CB :: 39.255 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.054 HA :: 4.490 HB2 :: 3.063 HB3 :: 3.063 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.959 Ave N Shift Values>> N :: 120.45(4.18) 1.R138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 K 0.1 G 0.04 HN Overlap>> 1.I157 1.I157 C Shift Assignments>> C :: 175.946 CA :: 56.061 CB :: 30.836 CG :: 26.676 CD :: 43.034 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.015 HA :: 4.208 HB2 :: 1.719 HB3 :: 1.719 HG2 :: 1.523 HG3 :: 1.523 HD2 :: 3.126 HD3 :: 3.126 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.109 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.26 K 0.23 M 0.12 E 0.06 R 0.01 C Shift Assignments>> C :: 176.746 CA :: 56.794 CB :: 29.973 CG :: 33.641 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.393 HA :: 4.239 HB2 :: 2.031 HB3 :: 1.927 HG2 :: 2.330 HG3 :: 2.214 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.728 Ave N Shift Values>> N :: 120.67(3.48) 1.T140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.113 CA :: 62.038 CB :: 70.096 CG2 :: 21.183 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.143 HA :: 4.281 HB :: 4.208 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.981 Ave N Shift Values>> N :: 115.42(4.75) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.879 CA :: 45.296 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.423 HA2 :: 3.897 HA3 :: 3.897 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.183 Ave N Shift Values>> N :: 109.67(3.87) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 176.563 CA :: 61.099 CB :: 38.475 CG1 :: 27.146 CG2 :: 17.047 CD1 :: 12.522 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.963 HA :: 4.219 HB :: 1.823 HG12 :: 1.387 HG13 :: 1.104 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.008 Ave N Shift Values>> N :: 121.46(4.28) 1.T143 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>> C :: 174.460 CA :: 61.602 CB :: 70.096 CG2 :: 21.193 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.299 HA :: 4.323 HB :: 4.208 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.747 Ave N Shift Values>> N :: 115.42(4.75) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 F 0.13 Y 0.1 N 0.09 K 0.08 C 0.06 C Shift Assignments>> C :: 176.980 CA :: 55.061 CB :: 40.839 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.421 HA :: 4.500 HB2 :: 2.644 HB3 :: 2.592 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.489 Ave N Shift Values>> N :: 120.65(3.86) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.33 K 0.08 Q 0.08 M 0.06 I 0.04 HN Overlap>> 1.N110 1.N110 C Shift Assignments>> C :: 177.311 CA :: 57.744 CB :: 30.003 CG :: 35.943 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.487 HA :: 4.125 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 2.225 HG3 :: 2.225 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.221 Ave N Shift Values>> N :: 120.67(3.48) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.32 K 0.11 Q 0.08 I 0.05 M 0.04 HN Overlap>> 1.D117 1.D117 1.Q54 1.Q54 C Shift Assignments>> C :: 177.544 CA :: 57.661 CB :: 29.669 CG :: 35.954 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.265 HA :: 4.094 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 2.214 HG3 :: 2.214 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.779 Ave N Shift Values>> N :: 120.67(3.48) 1.Q147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.28 C 0.25 E 0.05 R 0.05 M 0.05 HN Overlap>> 1.N134 1.N134 1.K80 1.K80 C Shift Assignments>> C :: 176.410 CA :: 56.561 CB :: 29.003 CG :: 33.670 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.259 HA :: 4.167 HB2 :: 2.052 HB3 :: 1.958 HG2 :: 2.298 HG3 :: 2.204 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.130 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.01 HN Overlap>> 1.A155 1.L28 1.A155 1.L28 C Shift Assignments>> C :: 178.494 CA :: 53.327 CB :: 18.803 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.136 HA :: 4.198 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.930 Ave N Shift Values>> N :: 123.23(3.54) 1.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.861 CA :: 61.971 CB :: 38.505 CG1 :: 26.654 CG2 :: 17.078 CD1 :: 12.525 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.957 HA :: 4.021 HB :: 1.833 HG12 :: 1.387 HG13 :: 1.125 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.059 Ave N Shift Values>> N :: 121.46(4.28) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.929 CA :: 59.119 CB :: 63.344 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.185 HA :: 4.396 HB2 :: 3.849 HB3 :: 3.776 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.211 Ave N Shift Values>> N :: 116.28(3.52) 1.R151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.4 K 0.09 G 0.03 C Shift Assignments>> C :: 176.859 CA :: 56.794 CB :: 30.556 CG :: 26.663 CD :: 43.043 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.187 HA :: 4.281 HB2 :: 1.792 HB3 :: 1.792 HG2 :: 1.638 HG3 :: 1.554 HD2 :: 3.126 HD3 :: 3.126 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.705 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.792 CA :: 63.347 CB :: 32.003 CG1 :: 20.653 CG2 :: 20.671 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.968 HA :: 3.927 HB :: 2.050 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.047 Ave N Shift Values>> N :: 121.14(4.54) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.3 A 0.01 R 0.01 C Shift Assignments>> C :: 177.813 CA :: 55.730 CB :: 41.922 CG :: 26.662 CD1 :: 24.482 CD2 :: 23.374 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.216 HA :: 4.240 HB2 :: 1.625 HB3 :: 1.562 HG :: 1.586 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.988 Ave N Shift Values>> N :: 121.86(3.9) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.09 Q 0.09 M 0.06 I 0.04 HN Overlap>> 1.Q84 1.M21 1.Q84 1.M21 C Shift Assignments>> C :: 176.813 CA :: 57.294 CB :: 29.920 CG :: 35.950 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.321 HA :: 4.115 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 2.319 HG3 :: 2.225 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.365 Ave N Shift Values>> N :: 120.67(3.48) 1.A155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.01 HN Overlap>> 1.A148 1.A148 1.L28 1.L28 C Shift Assignments>> C :: 178.197 CA :: 53.036 CB :: 18.750 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.175 HA :: 4.250 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.906 Ave N Shift Values>> N :: 123.23(3.54) 1.S156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.979 CA :: 58.927 CB :: 63.845 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.175 HA :: 4.364 HB2 :: 3.865 HB3 :: 3.865 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.678 Ave N Shift Values>> N :: 116.28(3.52) 1.I157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 HN Overlap>> 1.R138 1.F40 1.R138 1.F40 C Shift Assignments>> C :: 176.480 CA :: 61.803 CB :: 38.422 CG1 :: 27.198 CG2 :: 17.114 CD1 :: 12.493 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.999 HA :: 4.073 HB :: 1.854 HG12 :: 1.460 HG13 :: 1.125 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.140 Ave N Shift Values>> N :: 121.46(4.28) 1.A158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.01 C Shift Assignments>> C :: 178.130 CA :: 53.013 CB :: 18.833 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.175 HA :: 4.208 HB1 :: 1.355 HB2 :: 1.355 HB3 :: 1.355 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.398 Ave N Shift Values>> N :: 123.23(3.54) 1.E159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 Q 0.09 K 0.08 M 0.08 I 0.03 HN Overlap>> 1.D108 1.D108 C Shift Assignments>> C :: 176.496 CA :: 57.039 CB :: 30.086 CG :: 35.951 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.247 HA :: 4.146 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 2.214 HG3 :: 2.214 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.538 Ave N Shift Values>> N :: 120.67(3.48) 1.N160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.13 C 0.11 Y 0.08 F 0.07 L 0.03 E 0.01 M 0.01 HN Overlap>> 1.D108 1.D108 C Shift Assignments>> C :: 175.563 CA :: 53.460 CB :: 38.422 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.310 HA :: 4.604 HB2 :: 2.792 HB3 :: 2.707 HD21 :: 6.924 HD22 :: 7.584 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.383 ND2 :: 112.648 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.43 R 0.08 HN Overlap>> 1.Q91 1.Q91 C Shift Assignments>> C :: 176.627 CA :: 56.703 CB :: 32.503 CG :: 24.470 CD :: 28.626 CE :: 41.438 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.234 HA :: 4.229 HB2 :: 1.823 HB3 :: 1.708 HG2 :: 1.397 HG3 :: 1.355 HD2 :: 1.617 HD3 :: 1.617 HE2 :: 2.916 HE3 :: 2.916 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.562 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.01 C Shift Assignments>> C :: 177.697 CA :: 52.912 CB :: 18.750 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.181 HA :: 4.240 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.773 Ave N Shift Values>> N :: 123.23(3.54) 1.C163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 C 0.19 I 0.13 Q 0.11 L 0.08 K 0.08 E 0.08 H 0.07 C Shift Assignments>> C :: 174.429 CA :: 58.482 CB :: 27.502 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.137 HA :: 4.396 HB2 :: 2.885 HB3 :: 2.885 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.659 Ave N Shift Values>> N :: 120.17(4.64) 1.L164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.27 A 0.02 G 0.01 R 0.01 HN Overlap>> 1.I112 1.I112 C Shift Assignments>> C :: 176.930 CA :: 55.170 CB :: 42.339 CG :: 26.649 CD1 :: 24.477 CD2 :: 23.392 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.149 HA :: 4.292 HB2 :: 1.562 HB3 :: 1.562 HG :: 1.586 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.377 Ave N Shift Values>> N :: 121.86(3.9) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.41 R 0.08 HN Overlap>> 1.L94 1.L94 C Shift Assignments>> C :: 175.313 CA :: 56.194 CB :: 32.754 CG :: 24.472 CD :: 28.593 CE :: 41.436 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.205 HA :: 4.281 HB2 :: 1.781 HB3 :: 1.698 HG2 :: 1.408 HG3 :: 1.355 HD2 :: 1.617 HD3 :: 1.617 HE2 :: 2.927 HE3 :: 2.927 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.963 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.41 K 0.12 G 0.03 C Shift Assignments>> C :: 180.914 CA :: 57.307 CB :: 31.420 CG :: 26.656 CD :: 43.040 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.976 HA :: 4.188 HB2 :: 1.586 HB3 :: 1.586 HG2 :: 1.366 HG3 :: 1.366 HD2 :: 3.032 HD3 :: 3.032 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.435 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 166 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 151 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 15 Shift Relative Order (SRO) Results: #Consistent: 166 #Suspicious: 0 C Shift Results: #Consistent: 603 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 967 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 162 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0