Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.545 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.863 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.494 CA :: 58.312 CB :: 64.105 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.498 HB2 :: 3.862 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) 1.R3 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 0.05 C Shift Assignments>> C :: 176.114 CA :: 56.308 CB :: 30.867 CG :: 27.136 CD :: 43.439 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 :: 8.453 HA :: 4.339 HB2 :: 1.746 HB3 :: 1.854 HG2 :: 1.634 HD2 :: 3.177 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 :: 123.101 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.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 HN Overlap>> 2.L22 2.L22 C Shift Assignments>> C :: 177.842 CA :: 52.788 CB :: 19.345 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.318 HA :: 4.300 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.283 Ave N Shift Values>> N :: 123.23(3.54) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.600 CA :: 58.469 CB :: 63.811 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.219 HA :: 4.411 HB2 :: 3.854 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 :: 114.759 Ave N Shift Values>> N :: 116.28(3.52) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.14 R 0.13 Q 0.13 I 0.11 E 0.11 H 0.1 L 0.04 M 0.01 C Shift Assignments>> C :: 174.433 CA :: 58.476 CB :: 28.113 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.248 HA :: 4.526 HB2 :: 2.942 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.211 Ave N Shift Values>> N :: 120.17(4.64) 1.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.35 Q 0.15 E 0.01 C Shift Assignments>> C :: 175.827 CA :: 55.819 CB :: 33.025 CG :: 32.276 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 :: 8.293 HA :: 4.435 HB2 :: 2.065 HB3 :: 1.967 HG2 :: 2.504 HG3 :: 2.548 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.949 Ave N Shift Values>> N :: 120.09(3.57) 1.Q8 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 E 0.08 M 0.06 R 0.02 C Shift Assignments>> C :: 175.859 CA :: 55.914 CB :: 29.428 CG :: 33.933 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 :: 8.302 HA :: 4.325 HB2 :: 1.982 HB3 :: 2.097 HG2 :: 2.335 HE21 :: 6.769 HE22 :: 7.531 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 :: 121.242 NE2 :: 112.295 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.35 Q 0.15 E 0.01 C Shift Assignments>> C :: 175.881 CA :: 55.695 CB :: 33.142 CG :: 32.351 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 :: 8.373 HA :: 4.446 HB2 :: 1.970 HB3 :: 2.064 HG2 :: 2.507 HG3 :: 2.554 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.434 Ave N Shift Values>> N :: 120.09(3.57) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.13 F 0.11 Y 0.08 N 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 175.902 CA :: 54.847 CB :: 41.212 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 :: 4.540 HB2 :: 2.653 HB3 :: 2.562 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 :: 120.609 Ave N Shift Values>> N :: 120.65(3.86) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.1 Y 0.07 N 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.268 CA :: 54.722 CB :: 41.239 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 :: 8.196 HA :: 4.541 HB2 :: 2.620 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 :: 119.765 Ave N Shift Values>> N :: 120.65(3.86) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.358 CA :: 62.951 CB :: 32.614 CG1 :: 21.098 CG2 :: 21.445 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 :: 7.912 HA :: 4.046 HB :: 2.069 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 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 :: 119.536 Ave N Shift Values>> N :: 121.14(4.54) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.D32 2.C59 1.D32 2.C59 C Shift Assignments>> C :: 175.943 CA :: 61.730 CB :: 38.384 CG1 :: 27.755 CG2 :: 17.830 CD1 :: 13.124 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 :: 8.008 HA :: 4.047 HB :: 1.863 HG12 :: 1.445 HG13 :: 1.131 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 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 :: 122.290 Ave N Shift Values>> N :: 121.46(4.28) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.22 K 0.16 F 0.12 Y 0.09 C 0.06 N 0.04 R 0.02 C Shift Assignments>> C :: 176.612 CA :: 55.424 CB :: 41.316 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 :: 8.116 HA :: 4.482 HB2 :: 2.601 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.674 Ave N Shift Values>> N :: 120.65(3.86) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.22 K 0.13 F 0.13 Y 0.1 C 0.06 N 0.06 R 0.01 C Shift Assignments>> C :: 176.994 CA :: 55.287 CB :: 41.136 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 :: 8.107 HA :: 4.509 HB2 :: 2.662 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 :: 119.855 Ave N Shift Values>> N :: 120.65(3.86) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> 2.L13 2.L65 2.L13 2.L65 C Shift Assignments>> C :: 176.594 CA :: 62.736 CB :: 38.367 CG1 :: 28.215 CG2 :: 17.794 CD1 :: 13.486 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 :: 8.044 HA :: 3.940 HB :: 1.886 HG12 :: 1.462 HG13 :: 1.120 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 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 :: 120.104 Ave N Shift Values>> N :: 121.46(4.28) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 177.149 CA :: 62.565 CB :: 38.132 CG1 :: 28.023 CG2 :: 17.818 CD1 :: 13.148 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 :: 7.920 HA :: 3.973 HB :: 1.888 HG12 :: 1.474 HG13 :: 1.148 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 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 :: 120.611 Ave N Shift Values>> N :: 121.46(4.28) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.706 CA :: 59.450 CB :: 63.481 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.051 HA :: 4.350 HB2 :: 3.886 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 :: 117.183 Ave N Shift Values>> N :: 116.28(3.52) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.33 R 0.05 G 0.01 C Shift Assignments>> C :: 177.946 CA :: 56.415 CB :: 42.311 CG :: 27.028 CD1 :: 25.202 CD2 :: 24.111 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 :: 8.043 HA :: 4.223 HB2 :: 1.691 HB3 :: 1.544 HG :: 1.627 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 123.708 Ave N Shift Values>> N :: 121.86(3.9) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.09 K 0.06 M 0.03 Q 0.03 C Shift Assignments>> C :: 177.310 CA :: 58.185 CB :: 29.827 CG :: 36.487 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 :: 8.276 HA :: 4.054 HB2 :: 2.061 HB3 :: 1.969 HG2 :: 2.289 HG3 :: 2.196 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.114 Ave N Shift Values>> N :: 120.67(3.48) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.N32 2.N32 C Shift Assignments>> C :: 174.991 CA :: 59.423 CB :: 63.794 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.963 HA :: 4.385 HB2 :: 3.898 HB3 :: 3.874 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 :: 113.975 Ave N Shift Values>> N :: 116.28(3.52) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.390 CA :: 59.116 CB :: 64.001 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.977 HA :: 4.413 HB2 :: 3.797 HB3 :: 3.777 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 :: 116.340 Ave N Shift Values>> N :: 116.28(3.52) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 175.243 CA :: 58.694 CB :: 38.772 CD1 :: 133.047 CE1 :: 118.095 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 :: 7.974 HA :: 4.488 HB2 :: 2.929 HD1 :: 7.002 HD2 :: 7.002 HE1 :: 6.684 HE2 :: 6.684 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.094 Ave N Shift Values>> N :: 120.52(4.2) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.22 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> C :: 174.955 CA :: 53.251 CB :: 39.177 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 :: 7.974 HA :: 4.542 HB2 :: 2.673 HB3 :: 2.737 HD21 :: 6.886 HD22 :: 7.531 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.755 ND2 :: 112.050 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.08 K 0.05 M 0.04 Q 0.03 C Shift Assignments>> CA :: 58.175 CB :: 29.977 CG :: 36.441 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 :: 8.410 HA :: 3.936 HB2 :: 1.992 HG2 :: 2.230 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.661 Ave N Shift Values>> N :: 120.67(3.48) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.08 K 0.06 M 0.04 Q 0.03 HN Overlap>> 2.I89 2.I89 C Shift Assignments>> C :: 177.997 CA :: 58.109 CB :: 29.823 CG :: 36.452 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 :: 8.246 HA :: 4.111 HB2 :: 1.990 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 :: 120.076 Ave N Shift Values>> N :: 120.67(3.48) 1.I27 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 :: 176.628 CA :: 62.352 CB :: 38.128 CG1 :: 27.984 CG2 :: 17.943 CD1 :: 13.059 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 :: 7.705 HA :: 3.940 HB :: 1.803 HG12 :: 1.418 HG13 :: 1.138 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.859 Ave N Shift Values>> N :: 121.46(4.28) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.58 C 0.33 R 0.06 C Shift Assignments>> C :: 177.742 CA :: 56.116 CB :: 42.035 CG :: 27.056 CD1 :: 23.657 CD2 :: 25.525 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 :: 7.711 HA :: 4.125 HB2 :: 1.680 HB3 :: 1.520 HG :: 1.631 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.868 HD22 :: 0.868 HD23 :: 0.868 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) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.668 CA :: 45.862 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.900 HA2 :: 3.844 HA3 :: 3.927 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.458 Ave N Shift Values>> N :: 109.67(3.87) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.3 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 177.052 CA :: 55.567 CB :: 42.319 CG :: 27.072 CD1 :: 23.599 CD2 :: 25.471 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 :: 7.697 HA :: 4.229 HB2 :: 1.642 HB3 :: 1.542 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 119.891 Ave N Shift Values>> N :: 121.86(3.9) 1.M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.32 Q 0.15 E 0.01 C Shift Assignments>> C :: 175.496 CA :: 55.149 CB :: 33.313 CG :: 32.316 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 :: 7.949 HA :: 4.416 HB2 :: 1.937 HB3 :: 2.039 HG2 :: 2.414 HG3 :: 2.531 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 :: 118.120 Ave N Shift Values>> N :: 120.09(3.57) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.23 L 0.17 F 0.06 C 0.05 Y 0.04 K 0.04 HN Overlap>> 1.I13 1.I13 2.C59 2.C59 C Shift Assignments>> C :: 174.241 CA :: 52.789 CB :: 40.838 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 :: 8.045 HA :: 4.821 HB2 :: 2.692 HB3 :: 2.464 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.271 Ave N Shift Values>> N :: 120.65(3.86) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 175.642 CA :: 63.368 CB :: 31.991 CG :: 27.252 CD :: 50.541 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 :: 4.360 HB2 :: 1.960 HB3 :: 2.178 HG2 :: 1.964 HD2 :: 3.697 HD3 :: 3.766 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.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.08 L 0.06 C 0.05 C Shift Assignments>> C :: 182.447 CA :: 53.887 CB :: 20.279 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.876 HA :: 4.058 HB1 :: 1.293 HB2 :: 1.293 HB3 :: 1.293 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.771 Ave N Shift Values>> N :: 123.23(3.54) 2.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.29 G 0.09 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.518 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.881 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.319 CA :: 58.311 CB :: 64.067 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.504 HB2 :: 3.867 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) 2.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> C :: 177.873 CA :: 52.801 CB :: 19.321 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.500 HA :: 4.413 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.058 Ave N Shift Values>> N :: 123.23(3.54) 2.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.378 CA :: 61.828 CB :: 69.764 CG2 :: 21.690 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 :: 8.058 HA :: 4.306 HB :: 4.198 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.982 Ave N Shift Values>> N :: 115.42(4.75) 2.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.22 M 0.12 E 0.08 R 0.01 C Shift Assignments>> C :: 175.581 CA :: 55.698 CB :: 29.900 CG :: 33.884 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 :: 8.269 HA :: 4.414 HB2 :: 2.099 HB3 :: 1.976 HG2 :: 2.348 HE21 :: 6.765 HE22 :: 7.489 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 :: 122.610 NE2 :: 111.896 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.145 CA :: 56.396 CB :: 63.448 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.530 HA :: 4.774 HB2 :: 3.896 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.075 Ave N Shift Values>> N :: 116.28(3.52) 2.P7 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 :: 177.945 CA :: 64.072 CB :: 32.023 CG :: 27.484 CD :: 50.797 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 :: 4.430 HB2 :: 2.325 HB3 :: 1.967 HG2 :: 2.075 HG3 :: 2.042 HD2 :: 3.777 HD3 :: 3.835 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) 2.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.573 CA :: 45.756 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.416 HA2 :: 3.930 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.102 Ave N Shift Values>> N :: 109.67(3.87) 2.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.23 K 0.16 F 0.12 Y 0.09 C 0.06 N 0.05 R 0.02 C Shift Assignments>> C :: 177.312 CA :: 55.316 CB :: 41.319 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 :: 8.058 HA :: 4.591 HB2 :: 2.723 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 :: 121.149 Ave N Shift Values>> N :: 120.65(3.86) 2.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.269 CA :: 60.537 CB :: 63.145 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.331 HA :: 4.252 HB2 :: 3.942 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 :: 116.655 Ave N Shift Values>> N :: 116.28(3.52) 2.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.43 G 0.06 K 0.04 C Shift Assignments>> C :: 177.648 CA :: 58.426 CB :: 29.991 CG :: 27.401 CD :: 43.347 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 :: 8.287 HA :: 4.186 HB2 :: 1.892 HG2 :: 1.662 HG3 :: 1.682 HD2 :: 3.205 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 :: 123.077 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.42 G 0.06 K 0.05 C Shift Assignments>> C :: 178.133 CA :: 59.108 CB :: 30.134 CG :: 27.732 CD :: 43.350 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 :: 7.996 HA :: 3.957 HB2 :: 1.876 HG2 :: 1.682 HG3 :: 1.549 HD2 :: 3.204 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 :: 119.411 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.4 R 0.01 HN Overlap>> 1.I16 1.I16 2.L65 2.L65 C Shift Assignments>> C :: 178.904 CA :: 57.446 CB :: 41.742 CG :: 27.209 CD1 :: 23.786 CD2 :: 24.694 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 :: 8.040 HA :: 4.154 HB2 :: 1.743 HB3 :: 1.616 HG :: 1.647 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.895 HD22 :: 0.895 HD23 :: 0.895 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 :: 120.083 Ave N Shift Values>> N :: 121.86(3.9) 2.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.075 CA :: 61.452 CB :: 62.957 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.049 HA :: 4.214 HB2 :: 4.052 HB3 :: 3.997 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.879 Ave N Shift Values>> N :: 116.28(3.52) 2.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.175 CA :: 65.001 CB :: 37.749 CG1 :: 29.273 CG2 :: 17.280 CD1 :: 13.380 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 :: 8.039 HA :: 3.528 HB :: 1.725 HG12 :: 1.466 HG13 :: 0.688 HG21 :: 0.548 HG22 :: 0.548 HG23 :: 0.548 HD11 :: 0.553 HD12 :: 0.553 HD13 :: 0.553 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.229 Ave N Shift Values>> N :: 121.46(4.28) 2.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.22 K 0.21 E 0.07 R 0.05 I 0.04 HN Overlap>> 2.H72 2.H72 C Shift Assignments>> C :: 179.086 CA :: 59.492 CB :: 28.310 CG :: 34.081 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 :: 8.047 HA :: 3.953 HB2 :: 2.167 HG2 :: 2.392 HG3 :: 2.491 HE21 :: 7.355 HE22 :: 6.762 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.893 NE2 :: 110.645 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.39 G 0.09 K 0.04 C Shift Assignments>> C :: 179.013 CA :: 59.360 CB :: 30.175 CG :: 27.936 CD :: 43.555 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 :: 8.228 HA :: 4.087 HB2 :: 1.930 HG2 :: 1.632 HG3 :: 1.838 HD2 :: 3.205 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 :: 118.941 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.39 I 0.04 C 0.03 C Shift Assignments>> C :: 179.924 CA :: 55.448 CB :: 18.533 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.045 HA :: 4.120 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.089 Ave N Shift Values>> N :: 123.23(3.54) 2.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.702 CA :: 65.245 CB :: 37.574 CG1 :: 29.752 CG2 :: 18.250 CD1 :: 14.328 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 :: 8.463 HA :: 3.645 HB :: 2.068 HG12 :: 1.883 HG13 :: 1.188 HG21 :: 1.035 HG22 :: 1.035 HG23 :: 1.035 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 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 :: 118.065 Ave N Shift Values>> N :: 121.46(4.28) 2.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.22 K 0.21 E 0.07 R 0.05 I 0.04 C Shift Assignments>> C :: 179.618 CA :: 59.294 CB :: 28.210 CG :: 34.119 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 :: 8.123 HA :: 4.046 HB2 :: 2.159 HB3 :: 2.261 HG2 :: 2.464 HG3 :: 2.590 HE21 :: 6.820 HE22 :: 7.457 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.537 NE2 :: 111.067 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.931 CA :: 61.983 CB :: 63.032 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.230 HA :: 4.321 HB2 :: 3.864 HB3 :: 4.056 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 :: 116.118 Ave N Shift Values>> N :: 116.28(3.52) 2.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.43 R 0.11 G 0.01 HN Overlap>> 1.A4 1.A4 C Shift Assignments>> C :: 177.056 CA :: 58.706 CB :: 42.308 CG :: 27.399 CD1 :: 25.887 CD2 :: 23.543 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 :: 8.266 HA :: 4.011 HB2 :: 2.062 HB3 :: 1.661 HG :: 1.502 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.891 HD22 :: 0.891 HD23 :: 0.891 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 :: 125.351 Ave N Shift Values>> N :: 121.86(3.9) 2.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.302 CA :: 66.853 CB :: 31.755 CG1 :: 23.240 CG2 :: 21.090 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 :: 8.431 HA :: 3.278 HB :: 2.072 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 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 :: 118.374 Ave N Shift Values>> N :: 121.14(4.54) 2.H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 H 0.04 C Shift Assignments>> C :: 177.889 CA :: 60.175 CB :: 27.823 CD2 :: 129.126 CE1 :: 139.344 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 :: 7.907 HA :: 4.165 HB2 :: 3.253 HD2 :: 7.262 HE1 :: 7.921 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 :: 115.759 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.23 C 0.07 L 0.04 V 0.02 I 0.01 C Shift Assignments>> C :: 179.095 CA :: 55.173 CB :: 19.751 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.626 HA :: 4.115 HB1 :: 1.537 HB2 :: 1.537 HB3 :: 1.537 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.209 Ave N Shift Values>> N :: 123.23(3.54) 2.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.28 C 0.02 C Shift Assignments>> C :: 177.436 CA :: 53.974 CB :: 18.659 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.168 HA :: 4.024 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.383 Ave N Shift Values>> N :: 123.23(3.54) 2.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 Q 0.29 C 0.24 K 0.11 E 0.03 C Shift Assignments>> C :: 174.338 CA :: 54.602 CB :: 30.775 CG :: 33.518 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 :: 7.185 HA :: 4.446 HB2 :: 1.977 HB3 :: 2.122 HG2 :: 2.253 HG3 :: 2.440 HE21 :: 6.914 HE22 :: 7.304 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 :: 111.875 NE2 :: 112.022 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 I 0.27 E 0.09 K 0.08 H 0.06 R 0.06 Q 0.05 V 0.05 P 0.01 M 0.01 C Shift Assignments>> C :: 176.112 CA :: 60.866 CB :: 29.247 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.270 HA :: 3.864 HB2 :: 2.031 HB3 :: 2.508 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.221 Ave N Shift Values>> N :: 120.17(4.64) 2.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.31 G 0.07 K 0.05 L 0.01 C Shift Assignments>> C :: 175.097 CA :: 54.716 CB :: 30.130 CG :: 26.920 CD :: 43.258 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 :: 8.814 HA :: 4.563 HB2 :: 2.107 HB3 :: 1.612 HG2 :: 1.564 HG3 :: 1.642 HD2 :: 3.154 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 :: 129.426 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.18 C 0.07 F 0.04 L 0.04 Y 0.04 C Shift Assignments>> C :: 175.605 CA :: 51.940 CB :: 39.049 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 :: 7.884 HA :: 4.810 HB2 :: 2.817 HB3 :: 2.946 HD21 :: 7.802 HD22 :: 6.992 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 :: 120.365 ND2 :: 111.415 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 177.904 CA :: 54.340 CB :: 18.497 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.080 HA :: 4.064 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.176 Ave N Shift Values>> N :: 123.23(3.54) 2.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.16 C 0.08 F 0.04 Y 0.04 L 0.03 HN Overlap>> 1.S21 1.S21 C Shift Assignments>> C :: 174.003 CA :: 51.930 CB :: 38.860 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 :: 8.029 HA :: 4.819 HB2 :: 2.578 HB3 :: 2.924 HD21 :: 6.862 HD22 :: 7.584 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.053 ND2 :: 112.877 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 I 0.2 V 0.17 P 0.09 E 0.06 R 0.05 H 0.04 K 0.03 Q 0.02 C Shift Assignments>> C :: 176.707 CA :: 61.715 CB :: 30.049 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.124 HA :: 3.997 HB2 :: 2.977 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 :: 122.935 Ave N Shift Values>> N :: 120.17(4.64) 2.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.695 CA :: 57.922 CB :: 64.070 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.702 HA :: 4.556 HB2 :: 4.095 HB3 :: 3.849 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 :: 124.096 Ave N Shift Values>> N :: 116.28(3.52) 2.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.26 A 0.05 C Shift Assignments>> C :: 176.616 CA :: 54.236 CB :: 40.905 CG :: 27.305 CD1 :: 23.153 CD2 :: 24.338 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 :: 8.478 HA :: 4.466 HB2 :: 1.576 HB3 :: 1.384 HG :: 1.571 HD11 :: 0.580 HD12 :: 0.580 HD13 :: 0.580 HD21 :: 0.539 HD22 :: 0.539 HD23 :: 0.539 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 :: 128.480 Ave N Shift Values>> N :: 121.86(3.9) 2.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 :: 178.222 CA :: 65.300 CB :: 31.895 CG :: 27.815 CD :: 50.989 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 :: 4.288 HB2 :: 2.361 HB3 :: 1.955 HG2 :: 2.147 HG3 :: 2.037 HD2 :: 4.169 HD3 :: 3.724 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) 2.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.291 CA :: 60.565 CB :: 62.953 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.325 HA :: 4.232 HB2 :: 4.036 HB3 :: 3.951 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.714 Ave N Shift Values>> N :: 116.28(3.52) 2.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 V 0.22 C 0.21 P 0.19 C Shift Assignments>> C :: 176.546 CA :: 63.994 CB :: 29.743 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.489 HA :: 4.166 HB2 :: 3.198 HB3 :: 2.719 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 :: 125.525 Ave N Shift Values>> N :: 120.17(4.64) 2.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.2 K 0.19 E 0.06 I 0.06 R 0.05 C Shift Assignments>> C :: 179.311 CA :: 59.845 CB :: 28.182 CG :: 34.091 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 :: 8.150 HA :: 3.944 HB2 :: 2.148 HB3 :: 2.112 HG2 :: 2.498 HE21 :: 6.851 HE22 :: 7.507 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 :: 115.776 NE2 :: 111.479 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.11 C Shift Assignments>> C :: 179.055 CA :: 59.473 CB :: 32.805 CG :: 25.343 CD :: 29.550 CE :: 42.163 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.900 HA :: 4.031 HB2 :: 1.826 HB3 :: 2.167 HG2 :: 1.552 HG3 :: 1.406 HD2 :: 1.682 HE2 :: 2.938 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.978 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.42 A 0.07 C Shift Assignments>> C :: 179.167 CA :: 56.734 CB :: 31.809 CG :: 33.556 CE :: 17.380 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 :: 8.289 HA :: 4.519 HB2 :: 2.294 HB3 :: 1.861 HG2 :: 2.507 HG3 :: 2.678 HE1 :: 2.037 HE2 :: 2.037 HE3 :: 2.037 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 :: 118.148 Ave N Shift Values>> N :: 120.09(3.57) 2.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.33 G 0.06 K 0.02 C Shift Assignments>> C :: 179.722 CA :: 61.429 CB :: 32.813 CG :: 27.486 CD :: 30.162 CE :: 42.948 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 :: 9.435 HA :: 3.789 HB2 :: 2.100 HB3 :: 1.819 HG2 :: 1.351 HG3 :: 1.971 HD2 :: 1.661 HE2 :: 3.248 HE3 :: 3.107 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.697 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.38 G 0.11 K 0.02 C Shift Assignments>> C :: 179.594 CA :: 59.518 CB :: 30.010 CG :: 27.868 CD :: 43.649 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 :: 7.520 HA :: 4.136 HB2 :: 2.109 HB3 :: 1.968 HG2 :: 1.698 HG3 :: 1.948 HD2 :: 3.256 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 :: 118.006 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.611 CA :: 66.662 CB :: 31.452 CG1 :: 22.989 CG2 :: 22.846 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 :: 7.615 HA :: 3.707 HB :: 2.456 HG11 :: 1.117 HG12 :: 1.117 HG13 :: 1.117 HG21 :: 0.971 HG22 :: 0.971 HG23 :: 0.971 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 :: 121.318 Ave N Shift Values>> N :: 121.14(4.54) 2.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.925 CA :: 67.331 CB :: 31.561 CG1 :: 21.463 CG2 :: 23.145 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 :: 8.449 HA :: 3.484 HB :: 2.195 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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 :: 120.450 Ave N Shift Values>> N :: 121.14(4.54) 2.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.22 R 0.08 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 178.816 CA :: 58.932 CB :: 28.108 CG :: 33.752 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 :: 8.320 HA :: 3.944 HB2 :: 2.140 HB3 :: 2.197 HG2 :: 2.464 HE21 :: 7.426 HE22 :: 6.850 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.243 NE2 :: 111.501 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 H 0.03 C Shift Assignments>> C :: 177.820 CA :: 59.920 CB :: 27.208 CD2 :: 128.777 CE1 :: 140.022 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 :: 8.102 HA :: 4.229 HB2 :: 3.331 HB3 :: 3.887 HD2 :: 6.892 HE1 :: 8.043 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.017 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.T48 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 :: 175.805 CA :: 65.630 CB :: 69.513 CG2 :: 22.238 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 :: 7.815 HA :: 3.808 HB :: 4.170 HG1 :: 5.436 HG21 :: 1.629 HG22 :: 1.629 HG23 :: 1.629 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 :: 110.209 Ave N Shift Values>> N :: 115.42(4.75) 2.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.13 C Shift Assignments>> C :: 177.679 CA :: 58.640 CB :: 32.115 CG :: 25.341 CD :: 29.164 CE :: 42.194 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.302 HA :: 4.032 HB2 :: 1.846 HG2 :: 1.565 HG3 :: 1.407 HD2 :: 1.620 HE2 :: 2.861 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 :: 120.148 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.726 CA :: 44.709 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.117 HA2 :: 4.352 HA3 :: 3.598 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.842 Ave N Shift Values>> N :: 109.67(3.87) 2.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 I 0.22 V 0.11 E 0.08 R 0.06 H 0.06 K 0.05 Q 0.04 P 0.03 M 0.01 C Shift Assignments>> C :: 176.713 CA :: 61.195 CB :: 29.775 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.888 HA :: 3.934 HB2 :: 2.673 HB3 :: 2.017 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 :: 123.188 Ave N Shift Values>> N :: 120.17(4.64) 2.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.16 C Shift Assignments>> C :: 177.505 CA :: 56.701 CB :: 32.864 CG :: 25.036 CD :: 28.862 CE :: 42.300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.946 HA :: 4.471 HB2 :: 2.034 HB3 :: 1.806 HG2 :: 1.592 HG3 :: 1.503 HD2 :: 1.700 HE2 :: 3.030 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 :: 128.050 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.4 G 0.09 K 0.06 C Shift Assignments>> C :: 176.841 CA :: 57.691 CB :: 31.715 CG :: 27.709 CD :: 43.710 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 :: 8.483 HA :: 4.368 HB2 :: 1.830 HB3 :: 1.776 HG2 :: 1.683 HG3 :: 1.818 HD2 :: 3.263 HD3 :: 3.253 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 :: 122.286 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.39 R 0.13 G 0.02 C Shift Assignments>> C :: 177.096 CA :: 57.792 CB :: 32.233 CG :: 24.795 CD :: 29.720 CE :: 42.709 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 :: 8.432 HA :: 4.477 HB2 :: 2.060 HB3 :: 2.279 HG2 :: 1.341 HG3 :: 1.605 HD2 :: 2.030 HD3 :: 1.767 HE2 :: 3.138 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 :: 118.598 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.784 CA :: 63.895 CB :: 68.702 CG2 :: 22.179 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 :: 7.713 HA :: 4.102 HB :: 4.200 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.850 Ave N Shift Values>> N :: 115.42(4.75) 2.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.12 C 0.12 Y 0.1 F 0.09 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.804 CA :: 53.830 CB :: 38.326 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 :: 8.244 HA :: 4.698 HB2 :: 2.851 HD21 :: 7.566 HD22 :: 6.797 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 :: 119.486 ND2 :: 111.975 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.147 CA :: 45.816 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.915 HA2 :: 3.966 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.189 Ave N Shift Values>> N :: 109.67(3.87) 2.G58 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 :: 173.177 CA :: 45.610 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.754 HA2 :: 3.858 HA3 :: 3.967 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.909 Ave N Shift Values>> N :: 109.67(3.87) 2.C59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.18 C 0.14 E 0.13 Q 0.12 M 0.12 K 0.09 HN Overlap>> 1.I13 1.D32 1.I13 1.D32 C Shift Assignments>> C :: 174.605 CA :: 55.700 CB :: 30.778 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.976 HA :: 4.782 HB2 :: 2.922 HB3 :: 2.640 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 :: 122.348 Ave N Shift Values>> N :: 120.17(4.64) 2.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.638 CA :: 65.041 CB :: 32.567 CG :: 27.433 CD :: 51.508 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 :: 4.303 HB2 :: 2.383 HB3 :: 1.953 HG2 :: 2.056 HG3 :: 2.101 HD2 :: 4.031 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) 2.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 178.116 CA :: 64.690 CB :: 38.908 CG1 :: 28.174 CG2 :: 18.274 CD1 :: 12.780 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 :: 7.802 HA :: 3.675 HB :: 1.501 HG12 :: 0.903 HG13 :: 1.378 HG21 :: 0.669 HG22 :: 0.669 HG23 :: 0.669 HD11 :: 0.448 HD12 :: 0.448 HD13 :: 0.448 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 :: 120.910 Ave N Shift Values>> N :: 121.46(4.28) 2.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 V 0.23 C 0.17 P 0.07 C Shift Assignments>> C :: 177.510 CA :: 66.401 CB :: 29.269 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.875 HA :: 4.052 HB2 :: 2.739 HB3 :: 2.939 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 :: 123.794 Ave N Shift Values>> N :: 120.17(4.64) 2.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.08 C Shift Assignments>> C :: 179.087 CA :: 60.075 CB :: 32.673 CG :: 25.377 CD :: 29.438 CE :: 41.976 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 :: 8.006 HA :: 3.842 HB2 :: 1.834 HB3 :: 1.762 HG2 :: 1.510 HG3 :: 1.356 HD2 :: 1.619 HE2 :: 2.908 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.775 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.24 K 0.23 E 0.13 I 0.02 R 0.02 M 0.01 C Shift Assignments>> C :: 178.176 CA :: 58.474 CB :: 28.951 CG :: 34.348 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 :: 7.301 HA :: 4.143 HB2 :: 2.245 HB3 :: 2.172 HG2 :: 2.421 HG3 :: 2.448 HE21 :: 7.233 HE22 :: 6.956 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 :: 117.594 NE2 :: 110.794 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.43 R 0.05 HN Overlap>> 1.I16 2.L13 2.I89 1.I16 2.L13 2.I89 C Shift Assignments>> C :: 178.949 CA :: 57.972 CB :: 41.758 CG :: 27.546 CD1 :: 25.353 CD2 :: 24.728 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 :: 8.048 HA :: 4.093 HB2 :: 1.882 HG :: 1.867 HD11 :: 0.993 HD12 :: 0.993 HD13 :: 0.993 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 :: 120.006 Ave N Shift Values>> N :: 121.86(3.9) 2.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 176.995 CA :: 65.315 CB :: 37.458 CG1 :: 29.920 CG2 :: 17.063 CD1 :: 13.329 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 :: 8.452 HA :: 3.526 HB :: 1.434 HG12 :: 1.060 HG13 :: 0.370 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 HD11 :: 0.385 HD12 :: 0.385 HD13 :: 0.385 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 :: 120.270 Ave N Shift Values>> N :: 121.46(4.28) 2.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.508 CA :: 55.222 CB :: 18.192 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.259 HA :: 4.118 HB1 :: 1.495 HB2 :: 1.495 HB3 :: 1.495 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.238 Ave N Shift Values>> N :: 123.23(3.54) 2.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.37 R 0.06 G 0.01 C Shift Assignments>> C :: 178.943 CA :: 57.899 CB :: 42.372 CG :: 26.795 CD1 :: 25.576 CD2 :: 23.972 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 :: 7.773 HA :: 4.117 HB2 :: 1.521 HB3 :: 1.968 HG :: 1.919 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 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 :: 117.675 Ave N Shift Values>> N :: 121.86(3.9) 2.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.41 C 0.05 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 179.379 CA :: 55.748 CB :: 19.041 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.819 HA :: 3.907 HB1 :: 1.645 HB2 :: 1.645 HB3 :: 1.645 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.426 Ave N Shift Values>> N :: 123.23(3.54) 2.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 179.908 CA :: 55.366 CB :: 18.090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.532 HA :: 4.095 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.893 Ave N Shift Values>> N :: 123.23(3.54) 2.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 C 0.31 F 0.21 C Shift Assignments>> CA :: 61.401 CB :: 38.558 CD2 :: 133.169 CE2 :: 118.206 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 :: 7.610 HA :: 4.196 HB2 :: 3.175 HD1 :: 7.146 HD2 :: 7.146 HE1 :: 6.787 HE2 :: 6.787 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 :: 118.227 Ave N Shift Values>> N :: 120.52(4.2) 2.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 H 0.03 HN Overlap>> 2.Q16 2.Q16 C Shift Assignments>> CA :: 58.917 CB :: 27.795 CD2 :: 129.498 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 :: 8.070 HA :: 4.324 HB2 :: 3.180 HB3 :: 3.514 HD2 :: 7.143 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 :: 118.871 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.19 C 0.06 L 0.04 V 0.01 C Shift Assignments>> C :: 178.973 CA :: 54.754 CB :: 19.788 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.159 HA :: 3.916 HB1 :: 1.572 HB2 :: 1.572 HB3 :: 1.572 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.677 Ave N Shift Values>> N :: 123.23(3.54) 2.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.13 C Shift Assignments>> C :: 176.590 CA :: 58.098 CB :: 32.454 CG :: 24.614 CD :: 28.970 CE :: 42.115 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.943 HA :: 3.842 HB2 :: 1.427 HB3 :: 1.560 HG2 :: 1.200 HG3 :: 1.322 HD2 :: 2.205 HD3 :: 1.561 HE2 :: 2.894 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.407 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.63 C 0.36 C Shift Assignments>> C :: 173.434 CA :: 54.451 CB :: 30.260 CD2 :: 121.023 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 :: 7.112 HA :: 4.735 HB2 :: 3.390 HB3 :: 2.850 HD2 :: 7.018 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 :: 113.035 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.13 R 0.11 I 0.1 H 0.09 V 0.08 Q 0.07 K 0.06 M 0.02 P 0.01 C Shift Assignments>> C :: 175.998 CA :: 60.168 CB :: 30.114 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.982 HA :: 4.096 HB2 :: 1.760 HB3 :: 2.431 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 :: 123.468 Ave N Shift Values>> N :: 120.17(4.64) 2.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.27 C 0.22 M 0.06 E 0.05 R 0.02 C Shift Assignments>> C :: 175.472 CA :: 54.776 CB :: 29.384 CG :: 33.824 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.039 HA :: 4.631 HB2 :: 1.819 HB3 :: 2.386 HG2 :: 2.299 HE21 :: 7.349 HE22 :: 6.735 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 :: 128.474 NE2 :: 112.056 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.3 M 0.14 Q 0.09 K 0.06 I 0.01 C Shift Assignments>> C :: 176.669 CA :: 55.989 CB :: 30.459 CG :: 35.921 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 :: 8.238 HA :: 4.354 HB2 :: 1.949 HB3 :: 1.926 HG2 :: 2.320 HG3 :: 2.362 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 :: 122.860 Ave N Shift Values>> N :: 120.67(3.48) 2.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 Y 0.17 F 0.15 C 0.14 D 0.13 L 0.05 E 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 175.641 CA :: 55.119 CB :: 38.605 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 :: 8.818 HA :: 4.476 HB2 :: 2.785 HB3 :: 2.810 HD21 :: 7.560 HD22 :: 6.918 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 :: 125.215 ND2 :: 112.295 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.31 R 0.18 G 0.01 C Shift Assignments>> C :: 174.860 CA :: 54.645 CB :: 30.976 CG :: 24.686 CD :: 29.180 CE :: 42.196 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 :: 8.670 HA :: 4.365 HB2 :: 1.872 HB3 :: 1.617 HG2 :: 1.327 HG3 :: 1.285 HD2 :: 1.649 HE2 :: 2.942 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 :: 120.576 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.C81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 E 0.16 R 0.16 H 0.15 Q 0.11 K 0.08 M 0.08 V 0.02 I 0.01 C Shift Assignments>> CA :: 57.878 CB :: 30.686 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.947 HA :: 4.262 HB2 :: 2.937 HB3 :: 2.806 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 :: 123.874 Ave N Shift Values>> N :: 120.17(4.64) 2.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 62.887 CB :: 32.086 CG :: 26.541 CD :: 51.274 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 :: 4.654 HB2 :: 2.089 HB3 :: 2.018 HG2 :: 1.636 HG3 :: 2.018 HD2 :: 3.832 HD3 :: 4.151 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) 2.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.36 C Shift Assignments>> CA :: 62.405 CB :: 31.503 CG1 :: 24.118 CG2 :: 19.708 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 :: 9.009 HA :: 3.509 HB :: 2.184 HG11 :: 0.413 HG12 :: 0.413 HG13 :: 0.413 HG21 :: 0.646 HG22 :: 0.646 HG23 :: 0.646 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 :: 127.734 Ave N Shift Values>> N :: 121.14(4.54) 2.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 64.244 CB :: 31.534 CG :: 28.446 CD :: 50.390 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 :: 3.948 HB2 :: 1.891 HB3 :: 1.653 HG2 :: 1.931 HD2 :: 3.969 HD3 :: 3.396 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) 2.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 C 0.32 F 0.32 C Shift Assignments>> CA :: 60.557 CB :: 37.238 CD1 :: 131.755 CE1 :: 131.284 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 :: 7.897 HA :: 4.208 HB2 :: 3.198 HB3 :: 3.501 HD1 :: 7.058 HD2 :: 7.058 HE1 :: 7.320 HE2 :: 7.320 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 :: 111.300 Ave N Shift Values>> N :: 120.45(4.18) 2.C86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 V 0.25 C 0.2 P 0.18 C Shift Assignments>> CA :: 64.627 CB :: 29.732 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.784 HA :: 4.003 HB2 :: 2.751 HB3 :: 3.194 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.262 Ave N Shift Values>> N :: 120.17(4.64) 2.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 R 0.01 C Shift Assignments>> C :: 178.727 CA :: 57.874 CB :: 41.441 CG :: 27.219 CD1 :: 25.129 CD2 :: 23.960 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 :: 8.098 HA :: 4.047 HB2 :: 1.703 HB3 :: 1.535 HG :: 1.745 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.902 HD22 :: 0.902 HD23 :: 0.902 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 :: 115.181 Ave N Shift Values>> N :: 121.86(3.9) 2.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.2 N 0.15 C 0.14 D 0.13 L 0.06 I 0.03 E 0.01 C Shift Assignments>> C :: 176.988 CA :: 55.892 CB :: 38.942 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 :: 7.680 HA :: 4.454 HB2 :: 2.936 HB3 :: 2.821 HD21 :: 7.684 HD22 :: 6.954 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 :: 115.064 ND2 :: 111.446 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 HN Overlap>> 1.E26 1.E26 2.L65 2.L65 C Shift Assignments>> CA :: 63.389 CB :: 38.357 CG1 :: 28.552 CG2 :: 17.792 CD1 :: 13.414 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 :: 8.152 HA :: 3.871 HB :: 1.963 HG12 :: 1.663 HG13 :: 1.207 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 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 :: 120.018 Ave N Shift Values>> N :: 121.46(4.28) 2.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.34 R 0.2 G 0.01 C Shift Assignments>> CA :: 58.616 CB :: 33.097 CG :: 25.488 CD :: 30.136 CE :: 42.360 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 :: 8.141 HA :: 4.108 HB2 :: 1.827 HG2 :: 1.830 HD2 :: 1.659 HD3 :: 1.747 HE2 :: 3.293 HE3 :: 3.048 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.635 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.1 M 0.03 R 0.03 C Shift Assignments>> C :: 174.860 CA :: 56.246 CB :: 29.078 CG :: 34.097 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 :: 7.782 HA :: 4.264 HB2 :: 2.074 HB3 :: 2.158 HG2 :: 2.410 HE21 :: 7.501 HE22 :: 6.774 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.683 NE2 :: 111.846 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.44 R 0.08 C Shift Assignments>> C :: 181.162 CA :: 57.959 CB :: 33.587 CG :: 24.778 CD :: 29.186 CE :: 42.267 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.686 HA :: 4.124 HB2 :: 1.836 HB3 :: 1.744 HG2 :: 1.431 HD2 :: 1.672 HE2 :: 3.001 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 :: 127.148 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 126 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 126 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 0 C Shift Results: #Consistent: 512 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 792 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0