Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.L1 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>> V 0.51 C 0.26 P 0.09 I 0.06 K 0.01 C Shift Assignments>> C :: 176.108 CA :: 63.000 CB :: 34.271 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.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.07 M 0.07 Q 0.06 I 0.04 HN Overlap>> 1.L81 1.L81 1.R60 1.R60 C Shift Assignments>> C :: 176.457 CA :: 57.100 CB :: 30.019 CG :: 36.248 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 :: 8.657 HA :: 4.144 HB2 :: 1.989 HG2 :: 2.234 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 :: 122.416 Ave N Shift Values>> N :: 120.67(3.48) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.23 M 0.08 E 0.07 R 0.02 C Shift Assignments>> C :: 175.622 CA :: 55.729 CB :: 29.585 CG :: 33.807 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 :: 8.303 HA :: 4.296 HB2 :: 1.959 HG2 :: 2.306 HE21 :: 7.526 HE22 :: 6.847 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 :: 121.475 NE2 :: 112.478 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.38 HN Overlap>> 1.D105 1.A139 1.D105 1.A139 C Shift Assignments>> C :: 175.514 CA :: 61.843 CB :: 32.847 CG1 :: 20.537 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 :: 8.114 HA :: 4.063 HB :: 1.982 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 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 :: 121.752 Ave N Shift Values>> N :: 121.14(4.54) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C Shift Assignments>> C :: 175.732 CA :: 50.520 CB :: 18.023 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.451 HA :: 4.562 HB1 :: 1.343 HB2 :: 1.343 HB3 :: 1.343 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.473 Ave N Shift Values>> N :: 123.23(3.54) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.464 CA :: 63.586 CB :: 32.058 CG :: 27.200 CD :: 50.595 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 :: 4.323 HB2 :: 1.896 HB3 :: 2.262 HG2 :: 1.994 HG3 :: 1.994 HD2 :: 3.800 HD3 :: 3.664 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.E8 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 0.04 C Shift Assignments>> C :: 176.894 CA :: 57.178 CB :: 29.706 CG :: 36.010 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 :: 8.700 HA :: 4.201 HB2 :: 1.972 HB3 :: 1.972 HG2 :: 2.258 HG3 :: 2.258 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 :: 120.085 Ave N Shift Values>> N :: 120.67(3.48) 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 :: 175.007 CA :: 58.854 CB :: 63.707 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.267 HA :: 4.334 HB2 :: 3.858 HB3 :: 3.938 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 :: 116.679 Ave N Shift Values>> N :: 116.28(3.52) 1.R10 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 0.04 C Shift Assignments>> C :: 176.148 CA :: 56.676 CB :: 30.460 CG :: 26.902 CD :: 43.332 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 :: 8.211 HA :: 4.249 HB2 :: 1.741 HB3 :: 1.823 HG2 :: 1.601 HD2 :: 3.153 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 :: 122.453 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.N11 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 :: 175.007 CA :: 53.119 CB :: 38.752 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 :: 8.303 HA :: 4.640 HB2 :: 2.708 HB3 :: 2.790 HD21 :: 6.907 HD22 :: 7.593 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 :: 118.640 ND2 :: 112.800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.07 K 0.04 C Shift Assignments>> C :: 176.121 CA :: 56.299 CB :: 30.724 CG :: 27.080 CD :: 43.392 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 :: 8.108 HA :: 4.276 HB2 :: 1.809 HB3 :: 1.809 HG2 :: 1.553 HG3 :: 1.553 HD2 :: 3.153 HD3 :: 3.153 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 :: 121.111 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.I13 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 :: 176.039 CA :: 61.192 CB :: 38.467 CG1 :: 27.385 CG2 :: 17.377 CD1 :: 12.759 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 :: 8.106 HA :: 4.070 HB :: 1.807 HG12 :: 1.149 HG13 :: 1.439 HG21 :: 0.836 HG22 :: 0.836 HG23 :: 0.836 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 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 :: 122.002 Ave N Shift Values>> N :: 121.46(4.28) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 G 0.07 K 0.05 C Shift Assignments>> C :: 175.918 CA :: 55.914 CB :: 30.846 CG :: 27.134 CD :: 43.372 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 :: 8.379 HA :: 4.343 HB2 :: 1.700 HB3 :: 1.700 HG2 :: 1.415 HG3 :: 1.415 HD2 :: 3.155 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 :: 125.792 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.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.33 C Shift Assignments>> C :: 175.873 CA :: 62.288 CB :: 32.806 CG1 :: 20.711 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 :: 8.189 HA :: 4.058 HB :: 2.010 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 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 :: 121.872 Ave N Shift Values>> N :: 121.14(4.54) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 G 0.07 K 0.04 HN Overlap>> 1.R100 1.R100 C Shift Assignments>> C :: 176.236 CA :: 56.149 CB :: 30.660 CG :: 27.090 CD :: 43.451 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 :: 8.402 HA :: 4.274 HB2 :: 1.830 HB3 :: 1.741 HG2 :: 1.582 HG3 :: 1.582 HD2 :: 3.158 HD3 :: 3.158 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 :: 124.714 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.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.24 K 0.23 M 0.11 E 0.07 R 0.01 C Shift Assignments>> C :: 175.517 CA :: 56.215 CB :: 29.893 CG :: 33.799 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 :: 8.545 HA :: 4.272 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 2.317 HG3 :: 2.317 HE21 :: 6.814 HE22 :: 7.499 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 :: 122.028 NE2 :: 111.896 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.14 F 0.1 Y 0.08 K 0.06 C 0.06 C Shift Assignments>> C :: 175.960 CA :: 54.293 CB :: 40.771 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 :: 8.483 HA :: 4.542 HB2 :: 2.625 HB3 :: 2.625 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 :: 120.757 Ave N Shift Values>> N :: 120.65(3.86) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.22 G 0.02 A 0.02 C Shift Assignments>> C :: 176.838 CA :: 55.129 CB :: 42.582 CD1 :: 25.273 CD2 :: 23.391 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 :: 8.036 HA :: 4.303 HB2 :: 1.511 HB3 :: 1.597 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 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 :: 121.520 Ave N Shift Values>> N :: 121.86(3.9) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.06 C 0.02 L 0.01 HN Overlap>> 1.V160 1.V160 C Shift Assignments>> C :: 177.236 CA :: 52.641 CB :: 19.904 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.284 HA :: 4.366 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.151 Ave N Shift Values>> N :: 123.23(3.54) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.899 CA :: 57.759 CB :: 64.500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.964 HA :: 4.447 HB2 :: 3.720 HB3 :: 3.780 HG :: 4.447 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 :: 113.181 Ave N Shift Values>> N :: 116.28(3.52) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.17 R 0.03 A 0.02 G 0.01 HN Overlap>> 1.V160 1.V160 C Shift Assignments>> C :: 174.564 CA :: 53.274 CB :: 42.011 CG :: 27.051 CD1 :: 25.665 CD2 :: 23.818 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 :: 8.102 HA :: 4.457 HB2 :: 1.535 HB3 :: 1.308 HG :: 1.588 HD11 :: 0.632 HD12 :: 0.632 HD13 :: 0.632 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 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 :: 123.112 Ave N Shift Values>> N :: 121.86(3.9) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.585 CA :: 63.167 CB :: 32.104 CG :: 27.788 CD :: 50.439 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 :: 4.420 HB2 :: 2.422 HB3 :: 1.963 HG2 :: 2.100 HG3 :: 2.100 HD2 :: 3.503 HD3 :: 3.921 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.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.44 C 0.03 I 0.02 C Shift Assignments>> C :: 179.424 CA :: 55.001 CB :: 18.543 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.681 HA :: 3.969 HB1 :: 1.407 HB2 :: 1.407 HB3 :: 1.407 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.117 Ave N Shift Values>> N :: 123.23(3.54) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.15 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.209 CA :: 58.770 CB :: 29.072 CG :: 36.248 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 :: 8.966 HA :: 4.106 HB2 :: 2.006 HB3 :: 2.006 HG2 :: 2.284 HG3 :: 2.284 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 :: 116.168 Ave N Shift Values>> N :: 120.67(3.48) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.35 R 0.07 C Shift Assignments>> C :: 178.800 CA :: 56.769 CB :: 42.145 CG :: 27.250 CD1 :: 25.372 CD2 :: 24.137 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 :: 7.479 HA :: 4.342 HB2 :: 1.706 HB3 :: 1.706 HG :: 1.577 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 HD21 :: 0.976 HD22 :: 0.976 HD23 :: 0.976 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 :: 120.009 Ave N Shift Values>> N :: 121.86(3.9) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.D112 1.D112 C Shift Assignments>> C :: 178.089 CA :: 64.493 CB :: 37.538 CG1 :: 28.807 CG2 :: 17.206 CD1 :: 13.048 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 :: 7.876 HA :: 3.643 HB :: 1.810 HG12 :: 1.414 HG13 :: 0.963 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 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 :: 120.056 Ave N Shift Values>> N :: 121.46(4.28) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.18 C 0.16 F 0.15 D 0.11 L 0.04 E 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 176.202 CA :: 55.274 CB :: 38.376 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 :: 8.060 HA :: 4.463 HB2 :: 2.782 HB3 :: 2.782 HD21 :: 6.896 HD22 :: 7.593 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 :: 117.670 ND2 :: 112.376 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.19 M 0.11 E 0.1 C Shift Assignments>> C :: 177.444 CA :: 57.653 CB :: 30.084 CG :: 33.986 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 :: 7.673 HA :: 4.291 HB2 :: 2.147 HB3 :: 2.147 HG2 :: 2.340 HG3 :: 2.505 HE21 :: 6.763 HE22 :: 7.396 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 :: 117.278 NE2 :: 110.968 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.873 CA :: 61.720 CB :: 39.213 CG1 :: 26.130 CG2 :: 18.059 CD1 :: 14.070 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 :: 8.036 HA :: 4.369 HB :: 2.069 HG12 :: 1.252 HG13 :: 1.466 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 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 :: 112.442 Ave N Shift Values>> N :: 121.46(4.28) 1.G31 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 :: 174.866 CA :: 46.281 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.210 HA2 :: 3.861 HA3 :: 4.046 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.507 Ave N Shift Values>> N :: 109.67(3.87) 1.N32 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 0.09 L 0.04 E 0.01 M 0.01 HN Overlap>> 1.M142 1.M142 C Shift Assignments>> C :: 176.020 CA :: 53.750 CB :: 38.510 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 :: 8.401 HA :: 4.630 HB2 :: 2.706 HB3 :: 2.796 HD21 :: 6.722 HD22 :: 7.374 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 :: 118.249 ND2 :: 111.360 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R33 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 0.04 C Shift Assignments>> C :: 175.014 CA :: 56.550 CB :: 30.502 CG :: 26.961 CD :: 43.332 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 :: 8.174 HA :: 4.386 HB2 :: 1.623 HB3 :: 2.072 HG2 :: 1.422 HG3 :: 1.742 HD2 :: 3.073 HD3 :: 3.146 HE :: 6.894 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 :: 118.549 NE :: 83.793 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.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 E 0.13 W 0.13 Q 0.12 C 0.12 M 0.08 K 0.06 HN Overlap>> 1.N93 1.N93 C Shift Assignments>> C :: 173.047 CA :: 56.299 CB :: 30.419 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.575 HA :: 4.668 HB2 :: 2.713 HB3 :: 2.187 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 :: 115.011 Ave N Shift Values>> N :: 120.17(4.64) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.52 W 0.33 Y 0.14 C Shift Assignments>> CD2 :: 118.383 CE1 :: 138.116 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>> HA :: 4.655 HD2 :: 7.329 HE1 :: 7.661 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) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 179.908 CA :: 65.094 CB :: 32.544 CG :: 27.439 CD :: 50.892 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 :: 4.401 HB2 :: 2.396 HB3 :: 1.979 HG2 :: 1.982 HG3 :: 1.886 HD2 :: 2.892 HD3 :: 3.658 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.K37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.2 C Shift Assignments>> C :: 179.324 CA :: 56.927 CB :: 31.826 CG :: 25.807 CD :: 28.749 CE :: 41.994 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 :: 10.740(S) HA :: 4.507 HB2 :: 1.879 HB3 :: 1.879 HG2 :: 1.631 HG3 :: 1.730 HD2 :: 1.789 HD3 :: 1.789 HE2 :: 3.031 HE3 :: 3.031 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 :: 118.829 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 R 0.03 C Shift Assignments>> C :: 176.471 CA :: 57.005 CB :: 41.658 CG :: 26.889 CD1 :: 24.209 CD2 :: 25.463 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 :: 8.230 HA :: 3.962 HB2 :: 1.321 HB3 :: 1.524 HG :: 1.409 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 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 :: 119.646 Ave N Shift Values>> N :: 121.86(3.9) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.987 CA :: 58.477 CB :: 37.705 CD1 :: 132.993 CD2 :: 132.993 CE1 :: 118.083 CE2 :: 118.083 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 :: 7.397 HA :: 4.260 HB2 :: 3.258 HB3 :: 2.747 HD1 :: 7.130 HD2 :: 7.130 HE1 :: 6.638 HE2 :: 6.638 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 :: 113.874 Ave N Shift Values>> N :: 120.52(4.2) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.16 K 0.07 C 0.04 F 0.04 N 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 175.490 CA :: 52.865 CB :: 42.747 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 :: 7.185 HA :: 4.796 HB2 :: 2.531 HB3 :: 2.695 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 :: 119.345 Ave N Shift Values>> N :: 120.65(3.86) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.33 K 0.08 M 0.06 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.692 CA :: 56.467 CB :: 29.847 CG :: 36.387 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 :: 8.530 HA :: 4.201 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 2.169 HG3 :: 2.264 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 :: 120.233 Ave N Shift Values>> N :: 120.67(3.48) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.583 CA :: 44.961 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.901 HA2 :: 3.781 HA3 :: 4.133 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.935 Ave N Shift Values>> N :: 109.67(3.87) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.29 R 0.11 K 0.08 N 0.06 C 0.04 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 176.564 CA :: 52.363 CB :: 42.479 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 :: 8.663 HA :: 4.762 HB2 :: 2.626 HB3 :: 2.626 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 :: 121.836 Ave N Shift Values>> N :: 120.65(3.86) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.403 CA :: 65.261 CB :: 32.596 CG :: 27.378 CD :: 51.417 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 :: 4.154 HB2 :: 2.049 HB3 :: 2.395 HD2 :: 3.958 HD3 :: 3.933 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.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.906 CA :: 58.496 CB :: 64.130 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.528 HA :: 4.351 HB2 :: 3.870 HB3 :: 3.932 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 :: 110.182 Ave N Shift Values>> N :: 116.28(3.52) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.31 M 0.15 Q 0.1 K 0.05 I 0.01 C Shift Assignments>> C :: 175.511 CA :: 57.011 CB :: 30.705 CG :: 35.663 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 :: 7.647 HA :: 3.889 HB2 :: 2.039 HB3 :: 1.832 HG2 :: 2.082 HG3 :: 2.270 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 :: 123.830 Ave N Shift Values>> N :: 120.67(3.48) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.41 R 0.1 C Shift Assignments>> C :: 175.101 CA :: 56.595 CB :: 32.714 CG :: 25.477 CD :: 29.161 CE :: 41.664 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 :: 8.565 HA :: 4.058 HB2 :: 1.378 HB3 :: 1.700 HG2 :: 1.134 HG3 :: 1.490 HD2 :: 1.395 HD3 :: 1.395 HE2 :: 2.719 HE3 :: 2.719 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 :: 125.176 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.15 A 0.08 R 0.01 G 0.01 C Shift Assignments>> C :: 175.638 CA :: 52.907 CB :: 42.061 CG :: 26.700 CD1 :: 25.097 CD2 :: 22.987 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 :: 9.192 HA :: 4.470 HB2 :: 1.434 HB3 :: 0.479 HG :: 1.458 HD11 :: 0.200 HD12 :: 0.200 HD13 :: 0.200 HD21 :: 0.444 HD22 :: 0.444 HD23 :: 0.444 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 :: 126.591 Ave N Shift Values>> N :: 121.86(3.9) 1.E49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.42 C 0.41 K 0.06 I 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.095 CA :: 55.193 CB :: 29.192 CG :: 37.128 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 :: 9.098 HA :: 3.803 HB2 :: 2.037 HB3 :: 1.583 HG2 :: 1.313(S) HG3 :: 1.911 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 :: 126.474 Ave N Shift Values>> N :: 120.67(3.48) 1.L50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.42 L 0.34 R 0.12 G 0.1 C Shift Assignments>> C :: 174.529 CA :: 59.227 CB :: 43.380 CG :: 26.700 CD1 :: 26.438 CD2 :: 23.757 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 :: 9.194 HA :: 3.706 HB2 :: 1.124 HB3 :: 1.420 HG :: 1.455 HD11 :: 0.594 HD12 :: 0.594 HD13 :: 0.594 HD21 :: 0.241 HD22 :: 0.241 HD23 :: 0.241 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 :: 107.079(S) Ave N Shift Values>> N :: 121.86(3.9) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.21 C Shift Assignments>> C :: 176.007 CA :: 60.445 CB :: 36.365 CG1 :: 23.150 CG2 :: 20.978 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 :: 6.117 HA :: 4.196 HB :: 1.657 HG11 :: 1.236 HG12 :: 1.236 HG13 :: 1.236 HG21 :: 0.751 HG22 :: 0.751 HG23 :: 0.751 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 :: 108.342 Ave N Shift Values>> N :: 121.14(4.54) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.698 CA :: 64.802 CB :: 68.899 CG2 :: 21.630 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 :: 8.994 HA :: 3.918 HB :: 3.947 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 :: 127.301 Ave N Shift Values>> N :: 115.42(4.75) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.805 CA :: 45.578 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.575 HA2 :: 3.832 HA3 :: 4.151 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.700 Ave N Shift Values>> N :: 109.67(3.87) 1.T54 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 :: 175.846 CA :: 62.790 CB :: 71.794 CG2 :: 22.363 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 :: 7.583 HA :: 4.291 HB :: 4.210 HG1 :: 4.994 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 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 :: 108.453 Ave N Shift Values>> N :: 115.42(4.75) 1.N55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.36 C 0.16 Y 0.13 F 0.11 D 0.08 E 0.06 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 173.107 CA :: 54.553 CB :: 37.915 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 :: 10.443(S) HA :: 3.957 HB2 :: 2.799 HB3 :: 3.209 HD21 :: 6.922 HD22 :: 7.439 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 :: 119.851 ND2 :: 113.269 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.248 CA :: 62.206 CB :: 32.638 CG1 :: 21.243 CG2 :: 22.560 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 :: 6.849 HA :: 4.042 HB :: 1.666 HG11 :: 0.673 HG12 :: 0.673 HG13 :: 0.673 HG21 :: 0.486 HG22 :: 0.486 HG23 :: 0.486 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 :: 118.911 Ave N Shift Values>> N :: 121.14(4.54) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.22 G 0.02 C Shift Assignments>> C :: 174.282 CA :: 57.053 CB :: 42.442 CD1 :: 133.125 CD2 :: 133.125 CE1 :: 117.710 CE2 :: 117.710 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 :: 8.704 HA :: 5.483 HB2 :: 2.536 HB3 :: 2.767 HD1 :: 6.742 HD2 :: 6.742 HE1 :: 6.750 HE2 :: 6.750 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 :: 125.167 Ave N Shift Values>> N :: 120.52(4.2) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 I 0.24 G 0.03 C Shift Assignments>> C :: 173.134 CA :: 59.022 CB :: 42.479 CG1 :: 28.094 CG2 :: 15.618 CD1 :: 13.809 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 :: 9.119 HA :: 4.501 HB :: 1.634 HG12 :: 1.325 HG13 :: 1.436 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 HD11 :: 0.407 HD12 :: 0.407 HD13 :: 0.407 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 :: 120.140 Ave N Shift Values>> N :: 121.46(4.28) 1.T59 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 :: 175.692 CA :: 61.727 CB :: 70.705 CG2 :: 22.399 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 :: 8.199 HA :: 4.848 HB :: 4.592 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 116.911 Ave N Shift Values>> N :: 115.42(4.75) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.25 K 0.11 P 0.04 HN Overlap>> 1.E3 1.E3 C Shift Assignments>> C :: 177.491 CA :: 60.330 CB :: 29.957 CG :: 28.271 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 :: 8.568 HA :: 3.628 HB2 :: 1.953 HB3 :: 1.929 HG2 :: 1.622 HE :: 7.075 HH11 :: 6.864 HH12 :: 6.864 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 :: 122.391 NE :: 83.361 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.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.42 C 0.04 I 0.03 C Shift Assignments>> C :: 180.385 CA :: 55.210 CB :: 18.790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.105 HA :: 4.007 HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.561 Ave N Shift Values>> N :: 123.23(3.54) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.25 Q 0.25 R 0.1 E 0.03 M 0.02 I 0.01 HN Overlap>> 1.N125 1.N125 C Shift Assignments>> C :: 179.142 CA :: 58.226 CB :: 28.244 CG :: 33.446 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 :: 7.823 HA :: 4.005 HB2 :: 1.751 HB3 :: 2.047 HG2 :: 2.153 HG3 :: 2.337 HE21 :: 6.753 HE22 :: 7.463 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 :: 117.618 NE2 :: 112.284 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 C Shift Assignments>> C :: 178.914 CA :: 58.166 CB :: 41.097 CD1 :: 25.830 CD2 :: 22.808 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 :: 8.654 HA :: 4.006 HB2 :: 1.333 HB3 :: 1.834 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 122.663 Ave N Shift Values>> N :: 121.86(3.9) 1.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 C Shift Assignments>> C :: 177.995 CA :: 58.770 CB :: 31.235 CG :: 32.167 CE :: 17.142 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 :: 9.057 HA :: 4.148 HB2 :: 2.149 HB3 :: 2.149 HG2 :: 2.477 HG3 :: 2.477 HE1 :: 1.873 HE2 :: 1.873 HE3 :: 1.873 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 :: 118.790 Ave N Shift Values>> N :: 120.09(3.57) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.21 C 0.19 N 0.09 D 0.06 I 0.06 E 0.05 L 0.03 M 0.01 C Shift Assignments>> C :: 178.866 CA :: 56.595 CB :: 38.346 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 :: 8.071 HA :: 4.348 HB2 :: 2.881 HB3 :: 2.789 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 :: 117.401 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.37 C 0.1 HN Overlap>> 1.A83 1.A83 C Shift Assignments>> C :: 175.919 CA :: 64.455 CB :: 26.233 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.959 HA :: 3.781 HB2 :: 3.223 HB3 :: 2.100 HG :: 3.039 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 :: 117.933 Ave N Shift Values>> N :: 120.17(4.64) 1.H67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.42 H 0.07 C Shift Assignments>> C :: 178.921 CA :: 60.689 CB :: 28.732 CD2 :: 127.102 CE1 :: 138.001 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 :: 7.805 HA :: 4.174 HB2 :: 3.103 HB3 :: 2.949 HD2 :: 6.702 HE1 :: 7.383 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 :: 116.400 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 178.270 CA :: 66.365 CB :: 31.757 CG1 :: 21.136 CG2 :: 23.138 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 :: 9.267 HA :: 3.662 HB :: 2.072 HG11 :: 0.912 HG12 :: 0.912 HG13 :: 0.912 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 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 :: 122.195 Ave N Shift Values>> N :: 121.14(4.54) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.866 CA :: 61.115 CB :: 63.374 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.751 HA :: 4.133 HB2 :: 3.877 HB3 :: 3.701 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 :: 113.076 Ave N Shift Values>> N :: 116.28(3.52) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.16 C 0.06 L 0.04 V 0.01 HN Overlap>> 1.C143 1.C143 C Shift Assignments>> C :: 179.746 CA :: 54.583 CB :: 19.892 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.641 HA :: 3.981 HB1 :: 1.271 HB2 :: 1.271 HB3 :: 1.271 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.621 Ave N Shift Values>> N :: 123.23(3.54) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.053 CA :: 46.877 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.368 HA2 :: 3.674 HA3 :: 4.222 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.500 Ave N Shift Values>> N :: 109.67(3.87) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.09 C Shift Assignments>> C :: 175.087 CA :: 62.306 CB :: 68.737 CG2 :: 21.890 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 :: 8.840 HA :: 4.469 HB :: 4.692 HG21 :: 1.223 HG22 :: 1.223 HG23 :: 1.223 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 :: 116.468 Ave N Shift Values>> N :: 115.42(4.75) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 R 0.27 L 0.2 G 0.13 K 0.06 C Shift Assignments>> C :: 176.041 CA :: 56.052 CB :: 28.565 CG :: 26.037 CD :: 43.847 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 :: 7.993 HA :: 4.418 HB2 :: 1.796 HB3 :: 2.389 HG2 :: 1.838 HG3 :: 1.675 HD2 :: 3.185 HD3 :: 3.317 HE :: 7.597 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 :: 121.258 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.H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.34 H 0.28 C Shift Assignments>> C :: 176.007 CA :: 59.398 CB :: 30.033 CD2 :: 119.800 CE1 :: 139.212 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 :: 7.953 HA :: 4.141 HB2 :: 2.890 HB3 :: 3.205 HD2 :: 7.260 HE1 :: 7.706 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 :: 125.951 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.24 I 0.03 R 0.03 C Shift Assignments>> C :: 178.652 CA :: 60.700 CB :: 32.006 CE :: 41.164 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 :: 8.260 HA :: 3.944 HB2 :: 1.636 HB3 :: 1.809 HE2 :: 3.038 HE3 :: 3.172 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 :: 120.979 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.282 CA :: 65.588 CB :: 31.390 CG1 :: 21.187 CG2 :: 22.474 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 :: 6.398 HA :: 3.515 HB :: 2.112 HG11 :: 0.842 HG12 :: 0.842 HG13 :: 0.842 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 117.247 Ave N Shift Values>> N :: 121.14(4.54) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.39 C Shift Assignments>> C :: 177.685 CA :: 58.561 CB :: 40.982 CG :: 26.104 CD1 :: 25.470 CD2 :: 21.506 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 :: 7.755 HA :: 3.502 HB2 :: 0.745 HB3 :: 1.919 HG :: 1.335 HD11 :: 0.036 HD12 :: 0.036 HD13 :: 0.036 HD21 :: -0.069 HD22 :: -0.069 HD23 :: -0.069 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 :: 121.235 Ave N Shift Values>> N :: 121.86(3.9) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.42 C Shift Assignments>> C :: 177.779 CA :: 58.881 CB :: 40.772 CG :: 25.000 CD1 :: 24.365 CD2 :: 24.379 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 :: 7.873 HA :: 4.047 HB2 :: 2.036 HB3 :: 2.187 HG :: 1.571 HD11 :: 1.072 HD12 :: 1.072 HD13 :: 1.072 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 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 :: 116.657 Ave N Shift Values>> N :: 121.86(3.9) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.36 G 0.11 K 0.01 C Shift Assignments>> C :: 179.538 CA :: 60.822 CB :: 30.520 CG :: 27.261 CD :: 43.487 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 :: 7.490 HA :: 4.107 HB2 :: 1.887 HB3 :: 1.887 HG2 :: 1.596 HG3 :: 1.596 HD2 :: 3.098 HD3 :: 3.254 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 :: 117.443 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.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.27 L 0.19 R 0.11 C Shift Assignments>> C :: 180.183 CA :: 57.221 CB :: 28.362 CG :: 26.732 CD :: 41.370 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 :: 8.792 HA :: 4.011 HB2 :: 1.823 HB3 :: 2.064 HG2 :: 1.920 HG3 :: 1.550 HD2 :: 3.049 HD3 :: 3.161 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 :: 117.011 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.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.36 L 0.08 G 0.08 K 0.01 HN Overlap>> 1.E3 1.E3 C Shift Assignments>> C :: 179.659 CA :: 58.327 CB :: 43.365 CG :: 27.618 CD1 :: 24.103 CD2 :: 28.045 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 :: 8.766 HA :: 3.990 HB2 :: 1.213 HB3 :: 2.045 HG :: 1.532 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 122.399 Ave N Shift Values>> N :: 121.86(3.9) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.38 R 0.07 C Shift Assignments>> C :: 178.727 CA :: 59.217 CB :: 41.693 CG :: 27.198 CD1 :: 26.523 CD2 :: 23.570 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 :: 8.863 HA :: 4.147 HB2 :: 1.358 HB3 :: 2.220 HG :: 2.042 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.939 HD22 :: 0.939 HD23 :: 0.939 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 :: 119.159 Ave N Shift Values>> N :: 121.86(3.9) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.01 HN Overlap>> 1.C66 1.C66 C Shift Assignments>> C :: 178.256 CA :: 53.496 CB :: 18.693 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.963 HA :: 4.518 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.937 Ave N Shift Values>> N :: 123.23(3.54) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.604 CA :: 60.842 CB :: 62.800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.503 HA :: 4.113 HB2 :: 3.316 HB3 :: 3.763 HG :: 4.464 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 :: 113.143 Ave N Shift Values>> N :: 116.28(3.52) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.21 C Shift Assignments>> C :: 175.356 CA :: 60.391 CB :: 41.439 CD1 :: 131.946 CD2 :: 131.946 CE1 :: 130.647 CE2 :: 130.647 CZ :: 128.972 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 :: 7.211 HA :: 4.180 HB2 :: 2.200 HB3 :: 1.863 HD1 :: 7.119 HD2 :: 7.119 HE1 :: 7.023 HE2 :: 7.023 HZ :: 6.582 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 :: 116.662 Ave N Shift Values>> N :: 120.45(4.18) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> C :: 175.383 CA :: 55.169 CB :: 41.487 CD1 :: 132.915 CD2 :: 132.915 CE1 :: 130.493 CE2 :: 130.493 CZ :: 128.821 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 :: 8.213 HA :: 5.217 HB2 :: 1.863 HB3 :: 2.216 HD1 :: 7.438 HD2 :: 7.438 HE1 :: 7.190 HE2 :: 7.190 HZ :: 7.136 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 :: 119.242 Ave N Shift Values>> N :: 120.45(4.18) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.21 N 0.16 K 0.07 F 0.06 C 0.05 Y 0.04 R 0.01 HN Overlap>> 1.D141 1.D141 C Shift Assignments>> C :: 173.087 CA :: 52.870 CB :: 41.265 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 :: 8.279 HA :: 4.609 HB2 :: 2.769 HB3 :: 3.175 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 :: 120.219 Ave N Shift Values>> N :: 120.65(3.86) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 G 0.08 K 0.05 C Shift Assignments>> CA :: 56.000 CB :: 30.660 CG :: 27.463 CD :: 43.505 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 :: 8.547 HA :: 3.853 HB2 :: 1.765 HB3 :: 1.947 HG2 :: 1.604 HG3 :: 1.764 HD2 :: 3.178 HD3 :: 3.178 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 :: 119.340 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.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.25 C 0.2 F 0.2 N 0.09 E 0.07 I 0.05 D 0.05 L 0.02 M 0.02 C Shift Assignments>> C :: 177.303 CA :: 56.519 CB :: 38.124 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>> HA :: 3.820 HB2 :: 2.772 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) 1.T90 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 :: 177.652 CA :: 67.202 CB :: 68.045 CG2 :: 21.392 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 :: 8.337 HA :: 3.886 HB :: 4.373 HG21 :: 1.223 HG22 :: 1.223 HG23 :: 1.223 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 :: 118.862 Ave N Shift Values>> N :: 115.42(4.75) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.26 L 0.24 R 0.01 G 0.01 C Shift Assignments>> C :: 178.692 CA :: 58.226 CB :: 42.249 CD1 :: 24.344 CD2 :: 26.955 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 :: 8.404 HA :: 3.856 HB2 :: 1.324 HB3 :: 1.878 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 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 :: 122.031 Ave N Shift Values>> N :: 121.86(3.9) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 179.270 CA :: 54.624 CB :: 18.651 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.488 HA :: 4.049 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.480 Ave N Shift Values>> N :: 123.23(3.54) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.24 L 0.07 C 0.07 F 0.07 Y 0.06 HN Overlap>> 1.C34 1.C34 C Shift Assignments>> C :: 174.510 CA :: 53.158 CB :: 39.422 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 :: 7.610 HA :: 4.773 HB2 :: 2.708 HB3 :: 3.029 HD21 :: 7.608 HD22 :: 6.897 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 :: 114.906 ND2 :: 113.695 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.154 CA :: 57.771 CB :: 65.621 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.458 HA :: 5.306 HB2 :: 3.881 HB3 :: 3.881 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 :: 114.351 Ave N Shift Values>> N :: 116.28(3.52) 1.C95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.16 H 0.13 W 0.12 E 0.12 C 0.11 R 0.09 M 0.02 L 0.02 I 0.02 C Shift Assignments>> C :: 174.658 CA :: 56.508 CB :: 28.827 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.666 HA :: 4.782 HB2 :: 2.592 HB3 :: 3.086 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 :: 117.764 Ave N Shift Values>> N :: 120.17(4.64) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.221 CA :: 45.076 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.430 HA2 :: 3.601 HA3 :: 4.049 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.249 Ave N Shift Values>> N :: 109.67(3.87) 1.T97 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 :: 174.832 CA :: 62.120 CB :: 69.494 CG2 :: 21.423 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 :: 8.431 HA :: 4.217 HB :: 4.145 HG21 :: 1.088 HG22 :: 1.088 HG23 :: 1.088 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 :: 114.123 Ave N Shift Values>> N :: 115.42(4.75) 1.G98 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 R 0.01 C Shift Assignments>> C :: 173.590 CA :: 45.369 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.306 HA2 :: 3.871 HA3 :: 3.956 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.093 Ave N Shift Values>> N :: 109.67(3.87) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.V149 1.V149 C Shift Assignments>> C :: 176.282 CA :: 61.199 CB :: 38.836 CG1 :: 27.333 CG2 :: 17.493 CD1 :: 13.015 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 :: 7.897 HA :: 4.106 HB :: 1.787 HG12 :: 1.107 HG13 :: 1.374 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 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 :: 119.754 Ave N Shift Values>> N :: 121.46(4.28) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.39 G 0.06 K 0.04 HN Overlap>> 1.R16 1.R16 C Shift Assignments>> C :: 176.108 CA :: 56.383 CB :: 30.335 CG :: 27.082 CD :: 43.334 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 :: 8.496 HA :: 4.285 HB2 :: 1.749 HB3 :: 1.851 HG2 :: 1.587 HG3 :: 1.587 HD2 :: 3.149 HD3 :: 3.149 HE :: 7.626 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 :: 124.666 NE :: 84.769 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.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.712 CA :: 58.309 CB :: 64.088 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 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 :: 174.892 CA :: 58.812 CB :: 63.921 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.462 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 :: 117.804 Ave N Shift Values>> N :: 116.28(3.52) 1.T103 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 :: 174.190 CA :: 61.991 CB :: 69.476 CG2 :: 21.514 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 :: 8.081 HA :: 4.308 HB :: 4.219 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 114.699 Ave N Shift Values>> N :: 115.42(4.75) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.12 C 0.11 Y 0.08 F 0.07 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 174.416 CA :: 53.368 CB :: 38.256 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 :: 8.269 HA :: 4.640 HB2 :: 2.744 HB3 :: 2.799 HD21 :: 6.962 HD22 :: 7.799 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 :: 120.359 ND2 :: 113.856 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.22 K 0.19 F 0.09 R 0.07 Y 0.06 C 0.05 N 0.03 HN Overlap>> 1.V5 1.V5 1.A139 1.A139 C Shift Assignments>> CA :: 55.167 CB :: 41.850 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 :: 8.029 HA :: 4.861 HB2 :: 2.509 HB3 :: 2.739 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 :: 121.684 Ave N Shift Values>> N :: 120.65(3.86) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.142 CA :: 63.756 CB :: 32.163 CG :: 27.391 CD :: 50.932 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 :: 4.400 HB2 :: 2.270 HB3 :: 2.322 HG2 :: 1.928 HG3 :: 1.928 HD2 :: 3.823 HD3 :: 3.823 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.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.4 G 0.05 K 0.05 C Shift Assignments>> C :: 176.671 CA :: 56.718 CB :: 30.293 CG :: 27.246 CD :: 43.273 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 :: 8.331 HA :: 4.190 HB2 :: 1.755 HB3 :: 1.881 HG2 :: 1.613 HG3 :: 1.613 HD2 :: 3.196 HD3 :: 3.196 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 :: 117.844 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.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.33 G 0.08 K 0.07 C Shift Assignments>> C :: 174.947 CA :: 55.043 CB :: 31.376 CG :: 27.396 CD :: 43.410 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 :: 7.651 HA :: 4.487 HB2 :: 1.534 HB3 :: 1.609 HG2 :: 1.381 HG3 :: 1.497 HD2 :: 2.981 HD3 :: 2.981 HE :: 7.200 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 :: 120.000 NE :: 84.737 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.K109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.59 C 0.31 R 0.07 G 0.01 HN Overlap>> 1.R151 1.R151 C Shift Assignments>> CA :: 54.121 CB :: 33.266 CG :: 24.603 CD :: 29.285 CE :: 42.134 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 :: 8.113 HA :: 4.648 HB2 :: 1.801 HB3 :: 1.701 HG2 :: 1.470 HG3 :: 1.470 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 3.567(S) HE3 :: 3.738(S) 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 :: 123.427 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.765 CA :: 62.444 CB :: 32.096 CG :: 27.259 CD :: 50.000 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 :: 4.525 HB2 :: 1.810 HB3 :: 2.044 HG2 :: 1.920 HD2 :: 3.572 HD3 :: 3.737 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.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.25 A 0.23 R 0.01 C Shift Assignments>> C :: 176.839 CA :: 54.762 CB :: 41.910 CG :: 26.945 CD1 :: 24.658 CD2 :: 21.250 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 :: 8.264 HA :: 3.799 HB2 :: 1.227 HB3 :: 0.699 HG :: 0.806 HD11 :: 0.326 HD12 :: 0.326 HD13 :: 0.326 HD21 :: -0.037 HD22 :: -0.037 HD23 :: -0.037 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 :: 122.796 Ave N Shift Values>> N :: 121.86(3.9) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.23 K 0.14 D 0.12 F 0.08 Y 0.05 C 0.05 G 0.01 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> C :: 177.343 CA :: 55.797 CB :: 42.748 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 :: 7.838 HA :: 4.266 HB2 :: 2.877 HB3 :: 2.679 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 :: 119.958 Ave N Shift Values>> N :: 120.65(3.86) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.940 CA :: 61.649 CB :: 63.239 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.683 HA :: 3.973 HB2 :: 3.949 HB3 :: 3.949 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 :: 123.228 Ave N Shift Values>> N :: 116.28(3.52) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.44 G 0.05 K 0.03 C Shift Assignments>> C :: 179.599 CA :: 59.211 CB :: 29.768 CG :: 27.312 CD :: 43.194 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 :: 8.313 HA :: 4.133 HB2 :: 1.953 HB3 :: 2.017 HG2 :: 1.493 HG3 :: 1.696 HD2 :: 3.300 HD3 :: 3.300 HE :: 7.489 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 :: 124.559 NE :: 84.184 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.V115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.699 CA :: 66.232 CB :: 32.127 CG1 :: 21.506 CG2 :: 21.748 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 :: 7.758 HA :: 3.289 HB :: 1.963 HG11 :: -0.053(S) HG12 :: -0.053(S) HG13 :: -0.053(S) HG21 :: 0.794 HG22 :: 0.794 HG23 :: 0.794 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 :: 120.586 Ave N Shift Values>> N :: 121.14(4.54) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.33 K 0.23 C Shift Assignments>> C :: 178.383 CA :: 58.078 CB :: 41.756 CG :: 27.010 CD2 :: 24.578 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 :: 8.379 HA :: 3.799 HB2 :: 1.562 HB3 :: 1.653 HG :: 1.624 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 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 :: 118.021 Ave N Shift Values>> N :: 121.86(3.9) 1.H117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 C 0.33 H 0.28 HN Overlap>> 1.S153 1.S153 C Shift Assignments>> C :: 176.954 CA :: 59.934 CB :: 29.425 CD2 :: 119.729 CE1 :: 137.349 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 :: 8.245 HA :: 4.172 HB2 :: 3.155 HB3 :: 3.308 HD2 :: 7.014 HE1 :: 7.868 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 :: 116.065 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.38 I 0.04 C 0.03 C Shift Assignments>> C :: 178.418 CA :: 55.502 CB :: 18.539 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.521 HA :: 3.889 HB1 :: 1.410 HB2 :: 1.410 HB3 :: 1.410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.527 Ave N Shift Values>> N :: 123.23(3.54) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 178.270 CA :: 67.083 CB :: 32.098 CG1 :: 23.094 CG2 :: 24.291 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 :: 8.490 HA :: 3.442 HB :: 2.036 HG11 :: 0.859 HG12 :: 0.859 HG13 :: 0.859 HG21 :: 0.722 HG22 :: 0.722 HG23 :: 0.722 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 :: 116.483 Ave N Shift Values>> N :: 121.14(4.54) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.28 C 0.25 P 0.11 W 0.09 K 0.05 R 0.05 E 0.04 H 0.03 M 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 178.135 CA :: 61.073 CB :: 31.842 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 :: 4.220 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.Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 178.659 CA :: 61.115 CB :: 37.944 CD1 :: 133.026 CD2 :: 133.026 CE1 :: 118.164 CE2 :: 118.164 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 :: 8.230 HA :: 4.038 HB2 :: 2.837 HB3 :: 2.987 HD1 :: 6.989 HD2 :: 6.989 HE1 :: 6.812 HE2 :: 6.812 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 :: 119.962 Ave N Shift Values>> N :: 120.52(4.2) 1.Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 179.424 CA :: 63.055 CB :: 39.297 CD1 :: 133.726 CD2 :: 133.726 CE1 :: 117.243 CE2 :: 117.243 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 :: 8.721 HA :: 3.929 HB2 :: 3.060 HB3 :: 3.164 HD1 :: 7.067 HD2 :: 7.067 HE1 :: 6.935 HE2 :: 6.935 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 :: 120.725 Ave N Shift Values>> N :: 120.52(4.2) 1.C123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 I 0.39 C 0.12 W 0.02 R 0.01 C Shift Assignments>> C :: 175.893 CA :: 62.910 CB :: 27.517 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.497 HA :: 3.921 HB2 :: 2.840 HB3 :: 3.272 HG :: 3.004 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 :: 116.369 Ave N Shift Values>> N :: 120.17(4.64) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.27 K 0.17 Q 0.16 I 0.05 R 0.01 M 0.01 C Shift Assignments>> C :: 177.350 CA :: 57.554 CB :: 28.759 CG :: 35.368 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 :: 8.508 HA :: 4.323 HB2 :: 1.983 HB3 :: 1.983 HG2 :: 2.322 HG3 :: 2.469 HE21 :: 6.814 HE22 :: 7.495 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 :: 121.560 NE2 :: 111.852 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.18 N 0.17 C 0.17 D 0.09 E 0.04 L 0.04 I 0.03 M 0.02 HN Overlap>> 1.Q62 1.Q62 C Shift Assignments>> C :: 176.316 CA :: 55.824 CB :: 38.378 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 :: 7.739 HA :: 4.247 HB2 :: 2.514 HB3 :: 2.641 HD21 :: 7.466 HD22 :: 6.599 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 :: 117.569 ND2 :: 112.800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.4 C 0.16 C Shift Assignments>> C :: 174.859 CA :: 60.612 CB :: 40.078 CD1 :: 132.085 CD2 :: 132.085 CE1 :: 130.600 CE2 :: 130.600 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 :: 7.499 HA :: 4.344 HB2 :: 3.253 HB3 :: 2.842 HD1 :: 7.268 HD2 :: 7.268 HE1 :: 7.262 HE2 :: 7.262 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 :: 119.070 Ave N Shift Values>> N :: 120.45(4.18) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 G 0.09 C 0.03 L 0.01 C Shift Assignments>> C :: 173.020 CA :: 48.929 CB :: 20.619 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.213 HA :: 4.720 HB1 :: 1.015 HB2 :: 1.015 HB3 :: 1.015 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.194 Ave N Shift Values>> N :: 123.23(3.54) 1.P128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.316 CA :: 64.804 CB :: 32.173 CG :: 27.086 CD :: 50.449 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 :: 4.674 HB2 :: 1.763 HB3 :: 1.898 HG2 :: 1.912 HG3 :: 1.912 HD2 :: 3.514 HD3 :: 3.514 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.N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.14 Y 0.07 D 0.07 F 0.06 E 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 174.416 CA :: 53.312 CB :: 37.663 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 :: 8.365 HA :: 4.643 HB2 :: 2.784 HB3 :: 2.741 HD21 :: 7.596 HD22 :: 6.790 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 :: 112.519 ND2 :: 113.096 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 174.531 CA :: 53.954 CB :: 38.406 CD1 :: 131.000 CD2 :: 131.000 CE1 :: 130.977 CE2 :: 130.977 CZ :: 128.723 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 :: 8.281 HA :: 4.763 HB2 :: 2.881 HB3 :: 3.592 HD1 :: 7.415 HD2 :: 7.415 HE1 :: 7.236 HE2 :: 7.236 HZ :: 7.131 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 :: 124.870 Ave N Shift Values>> N :: 120.45(4.18) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.38 R 0.13 C Shift Assignments>> C :: 178.195 CA :: 56.257 CB :: 33.811 CG :: 25.249 CD :: 28.809 CE :: 42.170 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 :: 8.988 HA :: 4.317 HB2 :: 1.766 HB3 :: 2.108 HG2 :: 1.733 HG3 :: 1.573 HE2 :: 3.067 HE3 :: 3.067 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 :: 128.136 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.27 I 0.22 K 0.07 Q 0.04 C Shift Assignments>> C :: 178.102 CA :: 60.110 CB :: 29.036 CG :: 35.986 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 :: 9.088 HA :: 3.740 HB2 :: 1.952 HB3 :: 2.064 HG2 :: 2.122 HG3 :: 2.238 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 :: 125.289 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 C Shift Assignments>> C :: 177.706 CA :: 61.199 CB :: 61.394 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.698 HA :: 3.901 HB2 :: 3.941 HB3 :: 4.050 HG :: 4.093 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 :: 112.222 Ave N Shift Values>> N :: 116.28(3.52) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.34 I 0.12 M 0.03 K 0.01 C Shift Assignments>> C :: 178.995 CA :: 58.686 CB :: 30.368 CG :: 37.293 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 :: 6.979 HA :: 4.262 HB2 :: 2.308 HB3 :: 2.595 HG2 :: 2.454 HG3 :: 2.454 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 :: 123.516 Ave N Shift Values>> N :: 120.67(3.48) 1.M135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 M 0.04 I 0.03 C Shift Assignments>> C :: 178.048 CA :: 59.589 CB :: 32.593 CG :: 28.772 CE :: 17.975 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 :: 7.787 HA :: 3.675 HB2 :: 2.073 HB3 :: 2.298 HG2 :: 1.072(S) HG3 :: 1.072(S) HE1 :: 1.615 HE2 :: 1.615 HE3 :: 1.615 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 :: 118.706 Ave N Shift Values>> N :: 120.09(3.57) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.2 N 0.17 Y 0.13 F 0.09 M 0.07 D 0.02 I 0.02 K 0.01 C Shift Assignments>> C :: 178.276 CA :: 55.326 CB :: 37.077 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 :: 8.532 HA :: 4.298 HB2 :: 2.774 HB3 :: 2.774 HD21 :: 7.026 HD22 :: 7.582 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 :: 116.939 ND2 :: 110.722 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.404 CA :: 55.104 CB :: 17.994 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.687 HA :: 4.197 HB1 :: 1.574 HB2 :: 1.574 HB3 :: 1.574 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.368 Ave N Shift Values>> N :: 123.23(3.54) 1.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.974 CA :: 65.074 CB :: 37.760 CG1 :: 30.189 CG2 :: 17.862 CD1 :: 14.761 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 :: 7.893 HA :: 3.764 HB :: 1.992 HG12 :: 1.216 HG13 :: 1.993 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 HD11 :: 1.155 HD12 :: 1.155 HD13 :: 1.155 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 :: 120.998 Ave N Shift Values>> N :: 121.46(4.28) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.17 I 0.07 C 0.02 HN Overlap>> 1.V5 1.D105 1.V5 1.D105 C Shift Assignments>> C :: 179.129 CA :: 55.880 CB :: 17.179 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.048 HA :: 3.867 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.781 Ave N Shift Values>> N :: 123.23(3.54) 1.A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 180.452 CA :: 55.608 CB :: 17.924 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.030 HA :: 3.997 HB1 :: 1.540 HB2 :: 1.540 HB3 :: 1.540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.980 Ave N Shift Values>> N :: 123.23(3.54) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.17 F 0.17 Y 0.12 D 0.08 C 0.07 R 0.07 I 0.02 HN Overlap>> 1.D87 1.D87 C Shift Assignments>> C :: 178.619 CA :: 57.448 CB :: 41.800 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 :: 8.211 HA :: 4.369 HB2 :: 2.822 HB3 :: 2.822 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 :: 120.217 Ave N Shift Values>> N :: 120.65(3.86) 1.M142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.39 HN Overlap>> 1.N32 1.N32 C Shift Assignments>> CA :: 58.989 CB :: 32.869 CG :: 33.036 CE :: 16.384 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 :: 8.358 HA :: 4.136 HB2 :: 2.837 HB3 :: 2.609 HG2 :: 1.709 HG3 :: 1.754 HE1 :: 2.213 HE2 :: 2.213 HE3 :: 2.213 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 :: 118.270 Ave N Shift Values>> N :: 120.09(3.57) 1.C143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.22 C 0.12 Q 0.09 H 0.06 K 0.06 W 0.04 E 0.02 I 0.01 HN Overlap>> 1.A70 1.A70 C Shift Assignments>> CA :: 54.803 CB :: 26.696 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.656 HA :: 3.990 HB2 :: 3.003 HB3 :: 3.097 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 :: 119.618 Ave N Shift Values>> N :: 120.17(4.64) 1.T144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.571 CA :: 66.569 CB :: 68.624 CG2 :: 22.167 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 :: 8.286 HA :: 3.797 HB :: 4.244 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 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 :: 117.241 Ave N Shift Values>> N :: 115.42(4.75) 1.N145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.17 N 0.11 D 0.09 I 0.05 L 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 177.028 CA :: 56.360 CB :: 38.636 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 :: 8.585 HA :: 4.354 HB2 :: 2.725 HB3 :: 2.822 HD21 :: 6.905 HD22 :: 7.564 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 :: 119.724 ND2 :: 114.219 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.28 C 0.04 I 0.01 L 0.01 C Shift Assignments>> C :: 178.418 CA :: 54.708 CB :: 19.226 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.668 HA :: 4.148 HB1 :: 1.578 HB2 :: 1.578 HB3 :: 1.578 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.907 Ave N Shift Values>> N :: 123.23(3.54) 1.R147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.43 G 0.07 K 0.05 C Shift Assignments>> C :: 177.068 CA :: 58.267 CB :: 30.867 CG :: 27.532 CD :: 43.484 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 :: 7.570 HA :: 4.055 HB2 :: 1.886 HB3 :: 1.975 HG2 :: 1.580 HG3 :: 1.750 HD2 :: 3.160 HD3 :: 3.298 HE :: 7.592 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 :: 115.734 NE :: 84.672 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.R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.43 G 0.07 K 0.03 C Shift Assignments>> C :: 177.169 CA :: 57.956 CB :: 30.433 CG :: 27.134 CD :: 43.485 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 :: 7.593 HA :: 4.134 HB2 :: 1.739 HB3 :: 1.825 HG2 :: 1.579 HG3 :: 1.579 HD2 :: 3.167 HD3 :: 3.167 HE :: 7.628 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 :: 119.256 NE :: 84.867 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.V149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 HN Overlap>> 1.I99 1.I99 C Shift Assignments>> C :: 176.605 CA :: 63.644 CB :: 32.386 CG1 :: 21.300 CG2 :: 21.176 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 :: 7.922 HA :: 3.944 HB :: 2.061 HG11 :: 0.968 HG12 :: 0.968 HG13 :: 0.968 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 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 :: 119.730 Ave N Shift Values>> N :: 121.14(4.54) 1.V150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.511 CA :: 63.653 CB :: 32.465 CG1 :: 21.152 CG2 :: 21.163 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 :: 8.150 HA :: 3.944 HB :: 2.058 HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 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) 1.R151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.39 G 0.07 K 0.05 HN Overlap>> 1.K109 1.K109 C Shift Assignments>> CA :: 56.478 CB :: 30.586 CG :: 27.280 CD :: 43.443 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 :: 8.154 HA :: 4.151 HB2 :: 1.729 HB3 :: 1.785 HG2 :: 1.592 HG3 :: 1.518 HD2 :: 3.154 HD3 :: 3.088 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 :: 123.344 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.K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.47 C 0.41 R 0.11 C Shift Assignments>> C :: 176.900 CA :: 56.576 CB :: 32.764 CG :: 24.640 CD :: 28.985 CE :: 41.904 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 :: 8.128 HA :: 4.191 HB2 :: 1.673 HB3 :: 1.673 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.948 HE3 :: 2.948 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.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H117 1.H117 C Shift Assignments>> CA :: 58.682 CB :: 63.679 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.182 HA :: 4.363 HB2 :: 3.830 HB3 :: 3.830 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 :: 116.115 Ave N Shift Values>> N :: 116.28(3.52) 1.W154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 175.550 CA :: 57.262 CB :: 29.566 CD1 :: 127.062 CE3 :: 120.811 CZ2 :: 114.543 CZ3 :: 121.954 CH2 :: 124.565 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.952 HA :: 4.620 HB2 :: 3.235 HB3 :: 3.235 HD1 :: 7.206 HE1 :: 10.134 HE3 :: 7.540 HZ2 :: 7.448 HZ3 :: 7.088 HH2 :: 7.190 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.662 NE1 :: 129.543 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 C 0.28 Q 0.12 K 0.01 C Shift Assignments>> C :: 173.167 CA :: 53.113 CB :: 32.768 CG :: 31.920 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 :: 7.768 HA :: 4.555 HB2 :: 1.736 HB3 :: 1.907 HG2 :: 2.330 HG3 :: 2.330 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 :: 123.645 Ave N Shift Values>> N :: 120.09(3.57) 1.P156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 177.316 CA :: 62.817 CB :: 32.119 CG :: 27.231 CD :: 50.424 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 :: 4.219 HB2 :: 1.814 HB3 :: 2.233 HG2 :: 1.919 HG3 :: 1.919 HD2 :: 3.514 HD3 :: 3.514 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.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.28 R 0.18 C Shift Assignments>> C :: 176.417 CA :: 56.802 CB :: 30.000 CG :: 25.684 CD :: 30.320 CE :: 41.558 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 :: 8.485 HA :: 4.189 HB2 :: 1.887 HB3 :: 1.887 HG2 :: 1.347 HG3 :: 1.634 HD2 :: 1.600 HD3 :: 1.502 HE2 :: 2.683 HE3 :: 2.683 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 :: 120.532 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.25 P 0.22 V 0.18 T 0.15 I 0.12 C 0.02 C Shift Assignments>> CA :: 63.648 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>> HA :: 4.399 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) 1.K159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.967 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 :: 8.375 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 :: 125.980 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 HN Overlap>> 1.L22 1.A20 1.L22 1.A20 C Shift Assignments>> CA :: 62.263 CB :: 32.764 CG1 :: 20.830 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 :: 8.191 HA :: 4.052 HB :: 2.018 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 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 :: 123.142 Ave N Shift Values>> N :: 121.14(4.54) 1.L161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.25 R 0.03 A 0.01 G 0.01 HN Overlap>> 1.A163 1.A163 C Shift Assignments>> C :: 176.706 CA :: 54.876 CB :: 42.374 CG :: 26.963 CD1 :: 24.820 CD2 :: 23.665 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 :: 8.363 HA :: 4.333 HB2 :: 1.576 HB3 :: 1.528 HG :: 1.576 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 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 :: 127.139 Ave N Shift Values>> N :: 121.86(3.9) 1.K162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.4 R 0.09 C Shift Assignments>> C :: 175.551 CA :: 56.214 CB :: 33.350 CG :: 24.342 CD :: 28.985 CE :: 42.023 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 :: 8.241 HA :: 4.241 HB2 :: 1.715 HG2 :: 1.353 HD2 :: 1.667 HE2 :: 2.953 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 :: 122.999 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 HN Overlap>> 1.L161 1.L161 C Shift Assignments>> C :: 176.457 CA :: 52.380 CB :: 19.178 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.358 HA :: 4.306 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.139 Ave N Shift Values>> N :: 123.23(3.54) 1.E164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.37 M 0.14 I 0.02 Q 0.02 K 0.01 C Shift Assignments>> C :: 176.484 CA :: 57.826 CB :: 31.256 CG :: 36.544 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 :: 7.924 HA :: 4.083 HB2 :: 2.010 HB3 :: 1.837 HG2 :: 2.152 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 :: 125.609 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 157 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 162 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 164 #Suspicious: 0 C Shift Results: #Consistent: 694 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1087 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 169 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K37 H = 10.740(S), Expected = 8.19, Std = 0.6000, ChiSquare = 2.1377e-05 1.E49 HG2 = 1.313(S), Expected = 2.27, Std = 0.2100, ChiSquare = 5.1854e-06 1.L50 N = 107.079(S), Expected = 121.86, Std = 3.9000, ChiSquare = 1.5065e-04 1.N55 H = 10.443(S), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4355e-04 1.K109 HE2 = 3.567(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.6100e-04 1.K109 HE3 = 3.738(S), Expected = 2.91, Std = 0.2000, ChiSquare = 3.4731e-05 1.V115 HG11 = -0.053(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8340e-04 1.V115 HG12 = -0.053(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8340e-04 1.V115 HG13 = -0.053(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8340e-04 1.M135 HG2 = 1.072(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.1743e-04 1.M135 HG3 = 1.072(S), Expected = 2.39, Std = 0.3800, ChiSquare = 5.2353e-04