Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.4 V 0.39 C 0.15 I 0.01 C Shift Assignments>> C :: 176.914 CA :: 62.971 CB :: 32.112 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.28 A 0.02 R 0.02 C Shift Assignments>> C :: 177.753 CA :: 55.352 CB :: 42.075 CG :: 26.870 CD1 :: 24.752 CD2 :: 23.075 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 :: 8.323 HA :: 4.198 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 :: 121.193 Ave N Shift Values>> N :: 121.86(3.9) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.728 CA :: 44.930 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.206 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.719 Ave N Shift Values>> N :: 109.67(3.87) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.896 CA :: 56.391 CB :: 63.305 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.918 HB2 :: 4.230 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 :: 115.744 Ave N Shift Values>> N :: 116.28(3.52) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.45 V 0.37 C 0.13 I 0.01 C Shift Assignments>> C :: 176.819 CA :: 63.501 CB :: 31.832 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 K 0.1 Q 0.09 M 0.07 I 0.03 C Shift Assignments>> C :: 176.138 CA :: 56.841 CB :: 29.911 CG :: 35.967 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 :: 8.293 HA :: 3.924 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 :: 119.229 Ave N Shift Values>> N :: 120.67(3.48) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.39 C 0.2 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 175.524 CA :: 57.627 CB :: 39.512 CE1 :: 131.381 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 :: 7.869 HA :: 4.348 HB2 :: 2.732 HB3 :: 2.837 HD1 :: 6.949 HD2 :: 6.949 HE1 :: 7.034 HE2 :: 7.034 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 :: 119.125 Ave N Shift Values>> N :: 120.45(4.18) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.852 CA :: 57.977 CB :: 63.658 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.865 HA :: 4.119 HB2 :: 3.451 HB3 :: 3.507 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 :: 115.870 Ave N Shift Values>> N :: 116.28(3.52) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 175.239 CA :: 58.290 CB :: 38.613 CD2 :: 132.988 CE1 :: 118.065 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 :: 7.816 HA :: 4.172 HB2 :: 2.630 HB3 :: 2.634 HD1 :: 6.746 HD2 :: 6.746 HE1 :: 6.551 HE2 :: 6.551 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 :: 120.922 Ave N Shift Values>> N :: 120.52(4.2) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.14 I 0.08 D 0.08 L 0.06 N 0.02 HN Overlap>> 1.K76 1.K76 C Shift Assignments>> C :: 174.923 CA :: 57.500 CB :: 39.488 CE2 :: 131.427 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 :: 7.703 HA :: 4.276 HB2 :: 2.877 HB3 :: 2.683 HD1 :: 6.981 HD2 :: 6.981 HE1 :: 7.110 HE2 :: 7.110 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 :: 119.625 Ave N Shift Values>> N :: 120.45(4.18) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 176.907 CA :: 52.290 CB :: 19.229 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.794 HA :: 3.991 HB1 :: 1.096 HB2 :: 1.096 HB3 :: 1.096 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.574 Ave N Shift Values>> N :: 123.23(3.54) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.44 HN Overlap>> 1.F8 1.F8 C Shift Assignments>> C :: 176.109 CA :: 56.065 CB :: 32.909 CG :: 24.537 CD :: 28.955 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 :: 7.915 HA :: 4.096 HB2 :: 1.531 HB3 :: 1.639 HG2 :: 1.192 HD2 :: 1.450 HD3 :: 1.450 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 :: 119.219 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I14 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 :: 175.602 CA :: 61.022 CB :: 38.556 CG1 :: 27.185 CG2 :: 17.363 CD1 :: 12.743 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 :: 7.919 HA :: 3.870 HB :: 1.603 HG12 :: 1.236 HG13 :: 0.948 HG21 :: 0.649 HG22 :: 0.649 HG23 :: 0.649 HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 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 :: 121.111 Ave N Shift Values>> N :: 121.46(4.28) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.24 C 0.24 M 0.15 R 0.02 E 0.01 C Shift Assignments>> C :: 172.858 CA :: 52.991 CB :: 29.708 CG :: 33.124 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 :: 8.186 HA :: 4.302 HB2 :: 1.665 HB3 :: 1.665 HG2 :: 2.003 HG3 :: 1.870 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 :: 125.139 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 174.619 CA :: 62.429 CB :: 31.994 CG :: 27.120 CD :: 50.298 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.109 HB2 :: 1.820 HB3 :: 1.514 HD2 :: 3.305 HD3 :: 3.406 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 C 0.46 HN Overlap>> 1.R63 1.R63 C Shift Assignments>> CA :: 55.556 CB :: 32.226 CD2 :: 120.170 CE1 :: 138.983 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 :: 7.503 HA :: 4.216 HB2 :: 3.039 HB3 :: 2.371 HD2 :: 6.915 HE1 :: 7.094 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 :: 116.347 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.83 C 0.14 S 0.02 C Shift Assignments>> C :: 172.891 CA :: 62.080 CB :: 67.384 CG2 :: 21.221 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 :: 10.412(S) HA :: 4.075 HB :: 3.645 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 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 :: 125.635 Ave N Shift Values>> N :: 115.42(4.75) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.32 C 0.28 C Shift Assignments>> C :: 175.422 CA :: 56.254 CB :: 37.839 CD1 :: 131.202 CE2 :: 128.260 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 :: 8.047 HA :: 4.975 HB2 :: 2.504 HB3 :: 2.376 HD1 :: 6.672 HD2 :: 6.672 HE1 :: 6.933 HE2 :: 6.933 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 :: 125.658 Ave N Shift Values>> N :: 120.45(4.18) 1.I20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.5 C 0.47 A 0.01 C Shift Assignments>> C :: 173.188 CA :: 58.325 CB :: 40.203 CG1 :: 26.242 CG2 :: 17.442 CD1 :: 12.057 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 :: 8.528 HA :: 4.017 HB :: 0.714(S) HG12 :: 0.615 HG13 :: 0.725 HG21 :: 0.450 HG22 :: 0.450 HG23 :: 0.450 HD11 :: 0.450 HD12 :: 0.450 HD13 :: 0.450 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 :: 125.090 Ave N Shift Values>> N :: 121.46(4.28) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.39 M 0.08 I 0.04 K 0.01 HN Overlap>> 1.I59 1.I59 C Shift Assignments>> C :: 176.313 CA :: 56.307 CB :: 30.486 CG :: 37.405 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 :: 8.228 HA :: 4.203 HB2 :: 1.699 HB3 :: 1.950 HG2 :: 2.190 HG3 :: 1.970 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 :: 121.952 Ave N Shift Values>> N :: 120.67(3.48) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 HN Overlap>> 1.K46 1.K46 C Shift Assignments>> C :: 172.552 CA :: 44.157 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.413 HA2 :: 3.902 HA3 :: 3.902 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.553 Ave N Shift Values>> N :: 109.67(3.87) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 M 0.22 Q 0.03 C Shift Assignments>> C :: 176.673 CA :: 56.391 CB :: 31.551 CG :: 36.327 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 :: 8.415 HA :: 4.275 HB2 :: 1.961 HG2 :: 2.040 HG3 :: 2.105 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 :: 114.430 Ave N Shift Values>> N :: 120.67(3.48) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.3 M 0.28 Q 0.06 K 0.01 C Shift Assignments>> C :: 175.227 CA :: 55.130 CB :: 31.460 CG :: 35.837 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 :: 7.491 HA :: 4.219 HB2 :: 1.596 HB3 :: 1.659 HG2 :: 1.972 HG3 :: 1.957 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 :: 117.866 Ave N Shift Values>> N :: 120.67(3.48) 1.I25 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 :: 176.109 CA :: 61.579 CB :: 37.298 CG1 :: 28.115 CG2 :: 17.968 CD1 :: 12.614 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 :: 8.348 HA :: 3.916 HB :: 1.513 HG12 :: 0.791 HG13 :: 1.372 HG21 :: 0.620 HG22 :: 0.620 HG23 :: 0.620 HD11 :: 0.605 HD12 :: 0.605 HD13 :: 0.605 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 :: 122.625 Ave N Shift Values>> N :: 121.46(4.28) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.15 C Shift Assignments>> C :: 173.805 CA :: 59.008 CB :: 34.382 CG1 :: 21.456 CG2 :: 18.114 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 :: 9.123 HA :: 4.450 HB :: 2.095 HG11 :: 0.553 HG12 :: 0.553 HG13 :: 0.553 HG21 :: 0.401 HG22 :: 0.401 HG23 :: 0.401 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 :: 123.821 Ave N Shift Values>> N :: 121.14(4.54) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.3 R 0.15 G 0.01 C Shift Assignments>> C :: 176.463 CA :: 54.476 CB :: 33.342 CG :: 24.727 CD :: 28.404 CE :: 42.174 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 :: 7.966 HA :: 4.278 HB2 :: 1.428 HB3 :: 1.242 HG2 :: 1.114 HG3 :: 1.223 HD2 :: 1.398 HD3 :: 1.398 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 :: 116.107 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.13 I 0.13 R 0.1 H 0.09 K 0.07 V 0.07 Q 0.07 M 0.02 P 0.01 C Shift Assignments>> C :: 177.900 CA :: 60.256 CB :: 29.927 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.207 HA :: 3.392 HB2 :: 2.923 HB3 :: 2.757 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 :: 124.253 Ave N Shift Values>> N :: 120.17(4.64) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.114 CA :: 60.892 CB :: 64.383 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.155 HA :: 3.962 HB2 :: 4.181 HB3 :: 3.988 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 :: 126.180 Ave N Shift Values>> N :: 116.28(3.52) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.26 Q 0.18 M 0.14 K 0.1 I 0.01 C Shift Assignments>> C :: 177.519 CA :: 57.343 CB :: 30.463 CG :: 35.027 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 :: 9.151 HA :: 4.380 HB2 :: 1.891 HB3 :: 1.985 HG2 :: 2.495 HG3 :: 2.018 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 :: 122.152 Ave N Shift Values>> N :: 120.67(3.48) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.18 Q 0.12 M 0.12 V 0.11 R 0.07 H 0.06 E 0.04 C Shift Assignments>> C :: 176.834 CA :: 58.857 CB :: 33.098 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.201 HA :: 4.812 HB2 :: 2.943 HB3 :: 2.478 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 :: 117.403 Ave N Shift Values>> N :: 120.17(4.64) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.302 CA :: 46.101 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.889 HA2 :: 4.107 HA3 :: 3.526 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.856 Ave N Shift Values>> N :: 109.67(3.87) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.22 C 0.08 F 0.08 Y 0.07 L 0.07 C Shift Assignments>> C :: 175.041 CA :: 53.415 CB :: 39.242 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 :: 8.578 HA :: 4.457 HB2 :: 2.529 HB3 :: 2.529 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 :: 121.485 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.35 I 0.11 M 0.03 K 0.01 C Shift Assignments>> C :: 177.125 CA :: 57.764 CB :: 30.122 CG :: 37.536 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 :: 8.344 HA :: 4.265 HB2 :: 1.702 HB3 :: 1.617 HG2 :: 1.870 HG3 :: 2.218 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 :: 118.892 Ave N Shift Values>> N :: 120.67(3.48) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 T 0.39 A 0.13 C Shift Assignments>> C :: 170.279 CA :: 58.561 CB :: 70.171 CG2 :: 19.057 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 :: 9.129 HA :: 3.823 HB :: 3.822 HG21 :: 0.660 HG22 :: 0.660 HG23 :: 0.660 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 :: 117.543 Ave N Shift Values>> N :: 115.42(4.75) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.33 R 0.27 G 0.01 C Shift Assignments>> C :: 177.905 CA :: 55.849 CB :: 33.957 CG :: 25.941 CD :: 29.429 CE :: 42.300 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 :: 8.712 HA :: 4.847 HB2 :: 1.312 HB3 :: 2.012 HG2 :: 0.930 HG3 :: 1.218 HD2 :: 1.442 HD3 :: 1.442 HE2 :: 2.676 HE3 :: 2.676 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 :: 121.910 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 173.959 CA :: 61.587 CB :: 31.457 CG1 :: 24.068 CG2 :: 22.325 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 :: 8.474 HA :: 4.790 HB :: 2.223 HG11 :: 0.760 HG12 :: 0.760 HG13 :: 0.760 HG21 :: 0.404 HG22 :: 0.404 HG23 :: 0.404 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 :: 126.674 Ave N Shift Values>> N :: 121.14(4.54) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.31 C 0.2 G 0.14 C Shift Assignments>> C :: 172.957 CA :: 54.717 CB :: 43.033 CD2 :: 132.683 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 :: 8.672 HA :: 5.313 HB2 :: 2.524 HB3 :: 2.384 HD1 :: 6.846 HD2 :: 6.846 HE1 :: 6.973 HE2 :: 6.973 HZ :: 7.098 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 :: 119.697 Ave N Shift Values>> N :: 120.45(4.18) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 C 0.17 H 0.14 R 0.14 Q 0.13 K 0.11 M 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 177.619 CA :: 58.164 CB :: 29.878 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.196 HA :: 4.544 HB2 :: 2.686 HB3 :: 2.422 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 :: 118.247 Ave N Shift Values>> N :: 120.17(4.64) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.44 Q 0.19 K 0.18 E 0.08 I 0.04 M 0.03 R 0.01 C Shift Assignments>> CA :: 60.409 CB :: 29.650 CG :: 34.058 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 :: 9.372 HA :: 3.988 HB2 :: 1.843 HB3 :: 1.972 HG2 :: 2.082 HG3 :: 2.107 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) 1.E41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.6 C 0.32 E 0.05 C Shift Assignments>> C :: 181.372 CA :: 62.318 CB :: 29.106 CG :: 37.352 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 :: 11.005(S) HA :: 3.678 HB2 :: 1.554 HG2 :: 1.932 HG3 :: 2.223 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 :: 122.832 Ave N Shift Values>> N :: 120.67(3.48) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 P 0.33 C 0.11 V 0.03 C Shift Assignments>> C :: 176.909 CA :: 65.560 CB :: 28.238 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.341 HA :: 3.985 HB2 :: 3.121 HB3 :: 2.786 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 :: 120.829 Ave N Shift Values>> N :: 120.17(4.64) 1.T43 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 :: 177.455 CA :: 65.941 CB :: 69.412 CG2 :: 20.673 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 :: 7.696 HA :: 4.715 HB :: 4.466 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 117.382 Ave N Shift Values>> N :: 115.42(4.75) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 178.931 CA :: 64.472 CB :: 37.937 CG1 :: 28.913 CG2 :: 16.949 CD1 :: 12.723 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 :: 7.510 HA :: 3.506 HB :: 1.728 HG12 :: 1.024 HG13 :: 1.527 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 HD11 :: 0.658 HD12 :: 0.658 HD13 :: 0.658 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 :: 120.972 Ave N Shift Values>> N :: 121.46(4.28) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.35 K 0.14 G 0.03 R 0.01 C Shift Assignments>> C :: 178.985 CA :: 58.050 CB :: 42.792 CG :: 26.997 CD2 :: 24.240 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 :: 7.680 HA :: 3.860 HB2 :: 1.527 HB3 :: 1.607 HG :: 1.456 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 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 :: 119.313 Ave N Shift Values>> N :: 121.86(3.9) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.2 HN Overlap>> 1.G22 1.G22 C Shift Assignments>> C :: 176.038 CA :: 56.715 CB :: 32.559 CG :: 25.899 CD :: 29.188 CE :: 42.034 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 :: 8.318 HA :: 3.959 HB2 :: 1.754 HG2 :: 1.327 HG3 :: 1.442 HD2 :: 1.448 HE2 :: 2.792 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 :: 114.494 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.48 C 0.01 HN Overlap>> 1.M68 1.M68 C Shift Assignments>> C :: 175.371 CA :: 53.056 CB :: 16.424 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.685 HA :: 3.791 HB1 :: 1.263 HB2 :: 1.263 HB3 :: 1.263 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.431 Ave N Shift Values>> N :: 123.23(3.54) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.36 E 0.17 Q 0.05 C Shift Assignments>> C :: 173.136 CA :: 54.601 CB :: 32.517 CG :: 35.538 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 :: 7.556 HA :: 4.191 HB2 :: 1.666 HB3 :: 1.723 HG2 :: 1.787 HG3 :: 1.898 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 :: 114.360 Ave N Shift Values>> N :: 120.67(3.48) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.595 CA :: 64.178 CB :: 31.160 CG2 :: 21.844 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 :: 8.056 HA :: 3.474 HB :: 1.611 HG11 :: 0.419 HG12 :: 0.419 HG13 :: 0.419 HG21 :: 0.498 HG22 :: 0.498 HG23 :: 0.498 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 :: 118.504 Ave N Shift Values>> N :: 121.14(4.54) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.436 CA :: 61.530 CB :: 31.361 CG1 :: 21.126 CG2 :: 21.317 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 :: 8.254 HA :: 3.909 HB :: 1.860 HG11 :: 0.806 HG12 :: 0.806 HG13 :: 0.806 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 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 :: 130.966 Ave N Shift Values>> N :: 121.14(4.54) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 175.170 CA :: 44.919 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.940 HA2 :: 3.077 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.241 Ave N Shift Values>> N :: 109.67(3.87) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.37 A 0.09 L 0.08 C Shift Assignments>> C :: 177.478 CA :: 52.598 CB :: 47.031 CG :: 28.163 CD2 :: 23.558 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 :: 8.799 HA :: 5.625 HB2 :: 0.919 HB3 :: 1.033 HG :: 1.183 HD11 :: 0.535 HD12 :: 0.535 HD13 :: 0.535 HD21 :: 0.275 HD22 :: 0.275 HD23 :: 0.275 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 :: 127.597 Ave N Shift Values>> N :: 121.86(3.9) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 P 0.37 C 0.13 I 0.09 C Shift Assignments>> C :: 175.072 CA :: 64.951 CB :: 30.740 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.972 HA :: 3.783 HB2 :: 2.575 HB3 :: 2.721 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 :: 120.758 Ave N Shift Values>> N :: 120.17(4.64) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 H 0.46 C Shift Assignments>> CA :: 58.010 CB :: 31.693 CD2 :: 118.412 CE1 :: 137.926 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 :: 9.376 HA :: 3.500 HB2 :: 2.880 HB3 :: 2.920 HD2 :: 6.686 HE1 :: 7.553 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 :: 124.628 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.17 E 0.15 Q 0.14 H 0.12 R 0.1 I 0.07 M 0.02 L 0.01 C Shift Assignments>> C :: 176.890 CA :: 58.314 CB :: 28.854 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 :: 8.134 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 :: 127.494 Ave N Shift Values>> N :: 120.67(3.48) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 K 0.42 R 0.03 C Shift Assignments>> C :: 177.295 CA :: 58.039 CB :: 31.249 CG :: 24.791 CD :: 28.905 CE :: 40.873 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>> HA :: 3.900 HB2 :: 1.483 HB3 :: 1.617 HG2 :: 0.982 HG3 :: 1.048 HD2 :: 1.197 HD3 :: 0.922 HE2 :: 2.427 HE3 :: 2.518 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) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.2 F 0.15 D 0.13 Y 0.11 C 0.06 R 0.05 I 0.01 N 0.01 C Shift Assignments>> C :: 176.131 CA :: 56.708 CB :: 41.612 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 :: 7.855 HA :: 4.529 HB2 :: 2.597 HB3 :: 2.651 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 :: 119.963 Ave N Shift Values>> N :: 120.65(3.86) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 172.301 CA :: 60.510 CB :: 68.417 CG2 :: 21.239 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 :: 7.647 HA :: 4.300 HB :: 4.357 HG21 :: 1.053 HG22 :: 1.053 HG23 :: 1.053 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 :: 112.686 Ave N Shift Values>> N :: 115.42(4.75) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 176.389 CA :: 60.799 CB :: 39.364 CG1 :: 27.598 CG2 :: 18.177 CD1 :: 14.187 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 :: 8.228 HA :: 4.087 HB :: 1.747 HG12 :: 1.100 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 HD11 :: 0.628 HD12 :: 0.628 HD13 :: 0.628 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 :: 121.936 Ave N Shift Values>> N :: 121.46(4.28) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.06 HN Overlap>> 1.E77 1.E77 C Shift Assignments>> C :: 177.262 CA :: 59.963 CB :: 32.643 CG :: 25.064 CD :: 29.324 CE :: 42.050 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 :: 8.066 HA :: 3.409 HB2 :: 1.408 HB3 :: 1.490 HG2 :: 1.012 HG3 :: 1.140 HD2 :: 1.393 HD3 :: 1.393 HE2 :: 2.651 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 :: 120.041 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 P 0.19 C 0.18 V 0.11 C Shift Assignments>> C :: 177.730 CA :: 64.352 CB :: 29.104 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.704 HA :: 3.586 HB2 :: 2.880 HB3 :: 2.482 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 :: 118.040 Ave N Shift Values>> N :: 120.17(4.64) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.2 K 0.19 R 0.06 E 0.06 I 0.05 C Shift Assignments>> C :: 178.115 CA :: 59.663 CB :: 28.059 CG :: 34.040 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 :: 8.471 HA :: 3.052 HB2 :: 1.327 HB3 :: 1.271 HG2 :: 1.639 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 :: 117.440 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.34 K 0.19 I 0.03 G 0.03 L 0.01 HN Overlap>> 1.H17 1.H17 C Shift Assignments>> C :: 178.926 CA :: 58.647 CB :: 29.666 CD :: 42.916 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 :: 7.418 HA :: 4.013 HB2 :: 1.516 HB3 :: 1.661 HD2 :: 2.954 HD3 :: 2.922 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 :: 116.326 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.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 Y 0.24 F 0.19 C 0.19 E 0.02 C Shift Assignments>> C :: 178.442 CA :: 60.235 CB :: 38.384 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 :: 8.362 HA :: 4.031 HB2 :: 2.881 HB3 :: 2.856 HD1 :: 6.984 HD2 :: 6.984 HE1 :: 7.073 HE2 :: 7.073 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 :: 118.201 Ave N Shift Values>> N :: 120.45(4.18) 1.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 H 0.21 C Shift Assignments>> CA :: 59.503 CB :: 28.963 CD2 :: 125.989 CE1 :: 140.012 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 :: 8.101 HA :: 3.825 HB2 :: 3.265 HB3 :: 3.083 HD2 :: 6.182 HE1 :: 7.860 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 :: 117.255 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.38 M 0.09 I 0.04 K 0.03 Q 0.03 C Shift Assignments>> C :: 176.843 CA :: 58.019 CB :: 30.529 CG :: 36.335 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 :: 7.586 HA :: 3.202 HB2 :: 1.635 HB3 :: 1.677 HG2 :: 2.179 HG3 :: 1.626 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 :: 113.774 Ave N Shift Values>> N :: 120.67(3.48) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.13 D 0.03 L 0.03 E 0.01 N 0.01 C Shift Assignments>> C :: 175.900 CA :: 58.149 CB :: 38.941 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 :: 7.623 HA :: 4.275 HB2 :: 2.880 HB3 :: 2.782 HD1 :: 6.982 HD2 :: 6.982 HE1 :: 7.071 HE2 :: 7.071 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 :: 115.799 Ave N Shift Values>> N :: 120.45(4.18) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.39 Q 0.1 K 0.03 HN Overlap>> 1.A47 1.A47 C Shift Assignments>> C :: 175.555 CA :: 56.410 CB :: 32.068 CG :: 31.770 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 :: 7.579 HA :: 3.819 HB2 :: 1.682 HB3 :: 1.712 HG2 :: 2.137 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 :: 118.393 Ave N Shift Values>> N :: 120.09(3.57) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.1 K 0.1 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 175.979 CA :: 54.272 CB :: 41.127 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 :: 7.741 HA :: 4.288 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 :: 118.572 Ave N Shift Values>> N :: 120.65(3.86) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.13 L 0.04 D 0.04 N 0.01 C Shift Assignments>> C :: 175.776 CA :: 58.310 CB :: 39.479 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 :: 7.855 HA :: 4.273 HB2 :: 2.794 HB3 :: 2.882 HD1 :: 6.982 HD2 :: 6.982 HE1 :: 7.070 HE2 :: 7.070 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 :: 118.903 Ave N Shift Values>> N :: 120.45(4.18) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.08 K 0.07 Q 0.06 I 0.02 C Shift Assignments>> C :: 176.362 CA :: 56.469 CB :: 30.051 CG :: 36.198 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 :: 8.008 HA :: 3.958 HB2 :: 1.657 HB3 :: 1.618 HG2 :: 1.933 HG3 :: 1.933 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 :: 119.826 Ave N Shift Values>> N :: 120.67(3.48) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 R 0.03 G 0.01 A 0.01 HN Overlap>> 1.Y10 1.Y10 C Shift Assignments>> C :: 177.343 CA :: 55.599 CB :: 42.272 CG :: 26.874 CD1 :: 23.630 CD2 :: 24.845 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 :: 7.824 HA :: 4.002 HB2 :: 1.418 HB3 :: 1.320 HG :: 1.389 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 HD21 :: 0.688 HD22 :: 0.688 HD23 :: 0.688 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 :: 120.991 Ave N Shift Values>> N :: 121.86(3.9) 1.D73 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 Y 0.08 K 0.07 C 0.06 C Shift Assignments>> C :: 176.820 CA :: 54.444 CB :: 40.863 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 :: 8.135 HA :: 4.312 HB2 :: 2.492 HB3 :: 2.418 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 :: 119.107 Ave N Shift Values>> N :: 120.65(3.86) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.13 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 176.806 CA :: 57.090 CB :: 32.379 CG :: 24.538 CD :: 29.028 CE :: 42.059 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 :: 7.955 HA :: 3.964 HB2 :: 1.526 HB3 :: 1.606 HG2 :: 1.185 HD2 :: 1.400 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 :: 120.341 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.16 C 0.1 Y 0.08 F 0.07 L 0.04 C Shift Assignments>> C :: 175.220 CA :: 53.414 CB :: 38.662 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 :: 8.150 HA :: 4.466 HB2 :: 2.553 HB3 :: 2.645 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 :: 116.916 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.13 HN Overlap>> 1.F11 1.F11 C Shift Assignments>> C :: 176.356 CA :: 56.778 CB :: 32.617 CG :: 24.750 CD :: 29.044 CE :: 42.115 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 :: 7.780 HA :: 3.967 HB2 :: 1.617 HG2 :: 1.204 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 :: 119.565 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.08 K 0.07 Q 0.06 I 0.03 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> C :: 176.450 CA :: 56.645 CB :: 30.135 CG :: 36.228 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 :: 8.100 HA :: 4.036 HB2 :: 1.743 HB3 :: 1.785 HG2 :: 1.979 HG3 :: 2.046 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 :: 120.001 Ave N Shift Values>> N :: 120.67(3.48) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 1.K74 1.K74 C Shift Assignments>> C :: 176.257 CA :: 62.669 CB :: 32.384 CG1 :: 20.787 CG2 :: 21.276 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 :: 7.949 HA :: 3.828 HB :: 1.835 HG11 :: 0.681 HG12 :: 0.681 HG13 :: 0.681 HG21 :: 0.719 HG22 :: 0.719 HG23 :: 0.719 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 :: 120.340 Ave N Shift Values>> N :: 121.14(4.54) 1.I79 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 :: 175.875 CA :: 61.318 CB :: 38.582 CG1 :: 27.339 CG2 :: 17.377 CD1 :: 12.744 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 :: 7.970 HA :: 3.872 HB :: 1.608 HG12 :: 1.239 HG13 :: 0.950 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 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 :: 123.476 Ave N Shift Values>> N :: 121.46(4.28) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.21 N 0.12 F 0.09 K 0.08 Y 0.07 C 0.05 C Shift Assignments>> C :: 176.313 CA :: 54.188 CB :: 41.014 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 :: 8.208 HA :: 4.362 HB2 :: 2.500 HB3 :: 2.393 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 :: 123.007 Ave N Shift Values>> N :: 120.65(3.86) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.13 C Shift Assignments>> C :: 176.724 CA :: 56.406 CB :: 32.583 CG :: 24.764 CD :: 28.992 CE :: 42.050 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 :: 8.072 HA :: 4.053 HB2 :: 1.650 HG2 :: 1.231 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 :: 121.531 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.4 G 0.06 K 0.03 C Shift Assignments>> C :: 176.398 CA :: 56.640 CB :: 30.411 CG :: 27.009 CD :: 43.362 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 :: 8.098 HA :: 4.021 HB2 :: 1.624 HG2 :: 1.425 HD2 :: 2.964 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 :: 120.298 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.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.12 C Shift Assignments>> C :: 175.911 CA :: 56.177 CB :: 32.996 CG :: 24.606 CD :: 28.903 CE :: 42.011 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 :: 8.033 HA :: 4.114 HB2 :: 1.638 HG2 :: 1.227 HD2 :: 1.549 HE2 :: 2.808 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 :: 121.079 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 178.825 CA :: 46.033 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.761 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.133 Ave N Shift Values>> N :: 109.67(3.87) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 81 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 83 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 84 #Suspicious: 0 C Shift Results: #Consistent: 343 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 494 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 78 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T18 H = 10.412(S), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5966e-04 1.I20 HB = 0.714(S), Expected = 1.78, Std = 0.2900, ChiSquare = 2.3705e-04 1.E41 H = 11.005(S), Expected = 8.33, Std = 0.5900, ChiSquare = 5.7905e-06