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 0.44 L 0.3 F 0.06 K 0.06 G 0.04 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> CA :: 43.119 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.065 HA3 :: 4.065 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.I2 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>> CA :: 64.335 CB :: 40.060 CG1 :: 28.627 CG2 :: 15.966 CD1 :: 14.425 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 :: 8.706 HA :: 3.779 HB :: 1.136 HG12 :: 0.876 HG13 :: 0.994 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 HD11 :: 0.497 HD12 :: 0.497 HD13 :: 0.497 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 :: 122.199 Ave N Shift Values>> N :: 121.46(4.28) 1.V3 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>> CA :: 66.038 CB :: 31.488 CG1 :: 21.218 CG2 :: 22.274 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 :: 8.161 HA :: 3.574 HB :: 1.965 HG11 :: 0.927 HG12 :: 0.927 HG13 :: 0.927 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 122.931 Ave N Shift Values>> N :: 121.14(4.54) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.28 K 0.26 E 0.05 R 0.02 I 0.01 HN Overlap>> 1.L16 1.L16 C Shift Assignments>> CA :: 58.706 CB :: 29.766 CG :: 33.517 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 :: 8.201 HA :: 4.190 HB2 :: 2.183 HG2 :: 2.519 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 :: 121.422 Ave N Shift Values>> N :: 120.67(3.48) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.26 K 0.22 E 0.13 I 0.02 R 0.01 C Shift Assignments>> CA :: 58.778 CB :: 29.688 CG :: 34.222 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 :: 8.164 HA :: 4.040 HB2 :: 2.145 HB3 :: 2.099 HG2 :: 2.555 HG3 :: 2.449 HE21 :: 7.662 HE22 :: 6.979 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>> NE2 :: 112.131 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.SEC6 Overall Status: Residue type SEC not supported. 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.24 C 0.2 I 0.08 E 0.05 N 0.05 L 0.03 C Shift Assignments>> CA :: 57.119 CB :: 38.372 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.345 HA :: 4.876 HB2 :: 3.883 HB3 :: 3.417 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 :: 117.870 Ave N Shift Values>> N :: 120.17(4.64) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 65.356 CB :: 68.168 CG2 :: 22.259 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 :: 8.404 HA :: 4.006 HB :: 4.448 HG21 :: 1.288 HG22 :: 1.288 HG23 :: 1.288 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.585 Ave N Shift Values>> N :: 115.42(4.75) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 55.880 CB :: 63.841 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.280 HA :: 4.792 HB2 :: 3.889 HB3 :: 4.060 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.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> CA :: 59.521 CB :: 39.576 CG1 :: 26.960 CG2 :: 17.294 CD1 :: 12.714 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 :: 7.787 HA :: 4.525 HB :: 1.505 HG12 :: 0.301 HG13 :: 1.014 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 HD11 :: 0.503 HD12 :: 0.503 HD13 :: 0.503 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.739 Ave N Shift Values>> N :: 121.46(4.28) 1.SEC11 Overall Status: Residue type SEC not supported. 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 56.479 CB :: 65.534 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.799 HA :: 4.585 HB2 :: 4.323 HB3 :: 4.019 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 :: 117.226 Ave N Shift Values>> N :: 116.28(3.52) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 C Shift Assignments>> CA :: 58.152 CB :: 41.160 CG :: 26.895 CD1 :: 23.907 CD2 :: 24.595 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 :: 8.686 HA :: 3.877 HB2 :: 1.361 HB3 :: 1.361 HG :: 1.428 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 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 :: 121.493 Ave N Shift Values>> N :: 121.86(3.9) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> CA :: 59.989 CB :: 37.642 CD1 :: 132.779 CD2 :: 132.779 CE1 :: 118.313 CE2 :: 118.313 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 :: 7.532 HA :: 4.175 HB2 :: 3.007 HB3 :: 2.935 HD1 :: 7.085 HD2 :: 7.084 HE1 :: 6.858 HE2 :: 6.859 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 :: 115.346 Ave N Shift Values>> N :: 120.52(4.2) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.24 Q 0.19 K 0.19 I 0.04 R 0.01 C Shift Assignments>> CA :: 58.419 CB :: 29.269 CG :: 34.969 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 :: 7.581 HA :: 4.008 HB2 :: 2.454 HB3 :: 1.987 HG2 :: 2.400 HG3 :: 2.452 HE21 :: 7.021 HE22 :: 7.554 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 :: 117.937 NE2 :: 111.834 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.44 R 0.07 HN Overlap>> 1.E4 1.E4 C Shift Assignments>> CA :: 58.458 CB :: 41.980 CG :: 26.826 CD1 :: 25.674 CD2 :: 26.091 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 :: 8.255 HA :: 4.181 HB2 :: 1.820 HB3 :: 1.967 HG :: 1.697 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 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 :: 121.503 Ave N Shift Values>> N :: 121.86(3.9) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.27 K 0.21 R 0.13 E 0.03 I 0.01 C Shift Assignments>> CA :: 57.542 CB :: 27.673 CG :: 33.669 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 :: 8.079 HA :: 4.256 HB2 :: 2.138 HG2 :: 2.623 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 113.386 Ave N Shift Values>> N :: 120.67(3.48) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 Y 0.17 C 0.17 F 0.15 L 0.04 E 0.04 I 0.01 C Shift Assignments>> CA :: 54.729 CB :: 38.270 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 :: 7.461 HA :: 4.510 HB2 :: 2.643 HB3 :: 2.520 HD21 :: 6.603 HD22 :: 7.204 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 :: 117.293 ND2 :: 111.648 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 HN Overlap>> 2.E13 2.E13 C Shift Assignments>> CA :: 59.117 CB :: 37.753 CD1 :: 133.896 CD2 :: 133.891 CE1 :: 117.702 CE2 :: 117.701 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 :: 8.022 HA :: 4.480 HB2 :: 2.997 HB3 :: 3.492 HD1 :: 7.413 HD2 :: 7.414 HE1 :: 6.759 HE2 :: 6.759 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 :: 116.668 Ave N Shift Values>> N :: 120.52(4.2) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 N 0.28 E 0.18 K 0.06 Q 0.05 Y 0.05 F 0.03 H 0.01 C Shift Assignments>> CA :: 53.403 CB :: 35.922 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.423 HA :: 5.060 HB2 :: 2.877 HB3 :: 3.192 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 :: 115.925 Ave N Shift Values>> N :: 120.17(4.64) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.31 G 0.22 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.913 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.272 HA2 :: 4.020 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.821 Ave N Shift Values>> N :: 109.67(3.87) 2.F1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.67 C 0.32 C Shift Assignments>> CA :: 56.952 CB :: 39.695 CD1 :: 132.109 CD2 :: 132.109 CE1 :: 131.754 CE2 :: 131.754 CZ :: 130.469 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>> HA :: 4.274 HB2 :: 3.181 HB3 :: 3.181 HD1 :: 7.243 HD2 :: 7.243 HE1 :: 7.391 HE2 :: 7.391 HZ :: 7.319 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) 2.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> CA :: 61.594 CB :: 33.232 CG1 :: 20.414 CG2 :: 20.823 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 :: 8.201 HA :: 4.134 HB :: 1.913 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 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 :: 123.992 Ave N Shift Values>> N :: 121.14(4.54) 2.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 C 0.12 Y 0.08 F 0.07 L 0.03 E 0.01 C Shift Assignments>> CA :: 53.076 CB :: 38.308 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 :: 8.554 HA :: 4.732 HB2 :: 2.734 HB3 :: 2.734 HD21 :: 7.576 HD22 :: 6.926 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 :: 123.798 ND2 :: 111.354 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.41 K 0.12 E 0.02 C Shift Assignments>> CA :: 53.857 CB :: 31.093 CG :: 33.111 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 :: 8.496 HA :: 4.525 HB2 :: 1.933 HB3 :: 2.122 HG2 :: 2.293 HG3 :: 2.142 HE21 :: 7.406 HE22 :: 6.842 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 :: 119.736 NE2 :: 111.557 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 C 0.48 C Shift Assignments>> CA :: 56.989 CB :: 28.147 CD2 :: 120.985 CE1 :: 135.837 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 :: 8.715 HA :: 4.417 HB2 :: 3.285 HB3 :: 3.595 HD2 :: 7.443 HE1 :: 8.613 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 :: 119.201 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.29 C 0.17 A 0.02 C Shift Assignments>> CA :: 54.575 CB :: 45.127 CG :: 25.638 CD1 :: 26.046 CD2 :: 23.554 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 :: 9.171 HA :: 4.520 HB2 :: 1.811 HB3 :: 0.867 HG :: 1.645 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 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 :: 127.276 Ave N Shift Values>> N :: 121.86(3.9) 2.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.16 L 0.09 C Shift Assignments>> CA :: 53.512 CB :: 47.863 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.355 HA :: 5.069 HB2 :: 2.941 HB3 :: 3.248 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.380 Ave N Shift Values>> N :: 120.17(4.64) 2.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.553 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.553 HA2 :: 4.020 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.262 Ave N Shift Values>> N :: 109.67(3.87) 2.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.861 CB :: 62.206 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.230 HA :: 4.156 HB2 :: 3.917 HB3 :: 3.917 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 :: 122.694 Ave N Shift Values>> N :: 116.28(3.52) 2.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 C 0.47 C Shift Assignments>> CA :: 57.384 CB :: 27.883 CD2 :: 119.966 CE1 :: 136.550 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 :: 8.032 HA :: 4.540 HB2 :: 3.335 HB3 :: 3.639 HD2 :: 7.500 HE1 :: 8.717 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 :: 119.031 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.35 A 0.01 C Shift Assignments>> CA :: 57.610 CB :: 40.103 CG :: 27.127 CD1 :: 22.100 CD2 :: 25.045 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 :: 7.034 HA :: 4.017 HB2 :: 1.204 HB3 :: 1.958 HG :: 1.322 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 HD21 :: 0.803 HD22 :: 0.803 HD23 :: 0.803 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.857 Ave N Shift Values>> N :: 121.86(3.9) 2.V12 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>> CA :: 66.576 CB :: 31.710 CG1 :: 21.312 CG2 :: 22.544 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 :: 7.160 HA :: 3.341 HB :: 2.065 HG11 :: 0.975 HG12 :: 0.975 HG13 :: 0.975 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 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 :: 117.025 Ave N Shift Values>> N :: 121.14(4.54) 2.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.22 K 0.21 Q 0.17 HN Overlap>> 1.Y19 1.Y19 C Shift Assignments>> CA :: 58.546 CB :: 27.678 CG :: 32.629 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 :: 7.963 HA :: 4.145 HB2 :: 2.201 HG2 :: 2.590 HG3 :: 2.590 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 :: 116.699 Ave N Shift Values>> N :: 120.67(3.48) 2.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 C 0.07 I 0.04 V 0.02 L 0.01 C Shift Assignments>> CA :: 55.237 CB :: 19.007 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.759 HA :: 4.131 HB1 :: 1.510 HB2 :: 1.510 HB3 :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.117 Ave N Shift Values>> N :: 123.23(3.54) 2.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.42 R 0.01 C Shift Assignments>> CA :: 57.859 CB :: 41.020 CG :: 26.902 CD1 :: 25.599 CD2 :: 24.081 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 :: 8.029 HA :: 3.878 HB2 :: 1.327 HB3 :: 0.865 HG :: 1.454 HD11 :: 0.491 HD12 :: 0.491 HD13 :: 0.491 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 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 :: 117.889 Ave N Shift Values>> N :: 121.86(3.9) 2.Y16 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>> CA :: 61.324 CB :: 37.862 CD1 :: 132.909 CD2 :: 132.909 CE1 :: 118.080 CE2 :: 118.080 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 :: 8.168 HA :: 4.263 HB2 :: 3.161 HB3 :: 3.161 HD1 :: 7.169 HD2 :: 7.168 HE1 :: 6.810 HE2 :: 6.811 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 :: 118.958 Ave N Shift Values>> N :: 120.52(4.2) 2.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.02 G 0.01 C Shift Assignments>> CA :: 57.580 CB :: 42.264 CG :: 26.981 CD1 :: 24.755 CD2 :: 23.469 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 :: 7.965 HA :: 4.086 HB2 :: 1.708 HB3 :: 1.938 HG :: 1.854 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 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 :: 119.127 Ave N Shift Values>> N :: 121.86(3.9) 2.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> CA :: 65.044 CB :: 32.235 CG1 :: 21.307 CG2 :: 22.347 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 :: 8.538 HA :: 3.924 HB :: 2.144 HG11 :: 0.917 HG12 :: 0.917 HG13 :: 0.917 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 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 :: 116.503 Ave N Shift Values>> N :: 121.14(4.54) 2.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.25 N 0.21 Y 0.07 K 0.05 F 0.04 Q 0.03 C Shift Assignments>> CA :: 54.306 CB :: 36.174 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.736 HA :: 4.787 HB2 :: 2.931 HB3 :: 3.334 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 :: 116.390 Ave N Shift Values>> N :: 120.17(4.64) 2.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.481 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.750 HA2 :: 3.959 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.283 Ave N Shift Values>> N :: 109.67(3.87) 2.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.24 Q 0.21 R 0.21 C Shift Assignments>> CA :: 57.399 CB :: 27.800 CG :: 32.755 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 :: 8.590 HA :: 4.260 HB2 :: 2.237 HG2 :: 2.566 HG3 :: 2.566 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 :: 122.159 Ave N Shift Values>> N :: 120.67(3.48) 2.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 G 0.09 K 0.03 C Shift Assignments>> CA :: 57.285 CB :: 30.758 CG :: 27.220 CD :: 43.630 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 :: 8.000 HA :: 4.198 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 1.748 HG3 :: 1.825 HD2 :: 3.275 HD3 :: 3.275 HE :: 7.172 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 :: 118.058 NE :: 84.294 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.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.22 R 0.09 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> CA :: 44.612 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.729 HA2 :: 3.989 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.021 Ave N Shift Values>> N :: 109.67(3.87) 2.F24 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>> CA :: 56.853 CB :: 40.624 CD1 :: 132.262 CD2 :: 132.262 CE1 :: 130.966 CE2 :: 130.966 CZ :: 129.817 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 :: 7.711 HA :: 4.991 HB2 :: 2.896 HB3 :: 3.166 HD1 :: 6.890 HD2 :: 6.891 HE1 :: 7.078 HE2 :: 7.079 HZ :: 7.111 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 :: 116.165 Ave N Shift Values>> N :: 120.45(4.18) 2.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> CA :: 56.849 CB :: 40.105 CD1 :: 131.925 CD2 :: 131.925 CE1 :: 131.228 CE2 :: 131.228 CZ :: 129.675 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 :: 8.371 HA :: 4.667 HB2 :: 3.037 HB3 :: 3.193 HD1 :: 7.216 HD2 :: 7.216 HE1 :: 7.305 HE2 :: 7.305 HZ :: 7.264 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 :: 119.224 Ave N Shift Values>> N :: 120.45(4.18) 2.Y26 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>> CA :: 58.001 CB :: 39.063 CD1 :: 132.816 CD2 :: 132.849 CE1 :: 117.979 CE2 :: 117.979 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 :: 8.123 HA :: 4.662 HB2 :: 3.002 HB3 :: 3.002 HD1 :: 7.064 HD2 :: 7.063 HE1 :: 6.767 HE2 :: 6.767 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 :: 120.017 Ave N Shift Values>> N :: 120.52(4.2) 2.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 C Shift Assignments>> CA :: 58.856 CB :: 69.948 CG2 :: 21.216 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 :: 7.877 HA :: 4.651 HB :: 4.126 HG21 :: 1.230 HG22 :: 1.230 HG23 :: 1.230 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 :: 117.908 Ave N Shift Values>> N :: 115.42(4.75) 2.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 63.009 CB :: 32.069 CG :: 27.235 CD :: 50.868 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 :: 4.309 HB2 :: 1.913 HB3 :: 2.210 HG2 :: 1.918 HG3 :: 2.011 HD2 :: 3.686 HD3 :: 3.686 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.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.1 C Shift Assignments>> CA :: 56.301 CB :: 32.877 CG :: 24.765 CD :: 28.874 CE :: 41.837 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 :: 8.347 HA :: 4.318 HB2 :: 1.768 HB3 :: 1.854 HG2 :: 1.429 HG3 :: 1.475 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.979 HE3 :: 2.979 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.934 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T30 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>> CA :: 61.625 CB :: 69.826 CG2 :: 21.461 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 :: 8.061 HA :: 4.326 HB :: 4.196 HG21 :: 1.211 HG22 :: 1.211 HG23 :: 1.211 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 :: 114.788 Ave N Shift Values>> N :: 115.42(4.75) 2.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.37 K 0.07 G 0.04 C Shift Assignments>> CA :: 55.796 CB :: 30.901 CG :: 26.945 CD :: 43.089 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 :: 8.337 HA :: 4.399 HB2 :: 1.783 HB3 :: 1.902 HG2 :: 1.770 HG3 :: 1.663 HD2 :: 3.208 HD3 :: 3.208 HE :: 7.188 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 :: 123.510 NE :: 84.402 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.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.35 G 0.06 K 0.05 C Shift Assignments>> CA :: 55.456 CB :: 30.750 CG :: 27.101 CD :: 43.283 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 :: 8.369 HA :: 4.371 HB2 :: 1.778 HB3 :: 1.941 HG2 :: 1.775 HG3 :: 1.650 HD2 :: 3.206 HD3 :: 3.206 HE :: 7.203 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 :: 124.240 NE :: 84.410 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 51 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 51 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 51 #Suspicious: 0 C Shift Results: #Consistent: 185 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 353 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 54 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0