Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.34 A 0.14 C Shift Assignments>> CA :: 55.396 CB :: 33.083 CG :: 32.023 CE :: 16.978 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 :: 8.369 HA :: 4.423 HB2 :: 2.024 HB3 :: 1.916 HG2 :: 2.537 HG3 :: 2.537 HE1 :: 2.024 HE2 :: 2.024 HE3 :: 2.024 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 :: 120.246 Ave N Shift Values>> N :: 120.09(3.57) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C 0.01 C Shift Assignments>> CA :: 52.823 CB :: 19.054 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.359 HA :: 4.253 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.548 Ave N Shift Values>> N :: 123.23(3.54) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.279 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.365 HA2 :: 3.870 HA3 :: 3.870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.409 Ave N Shift Values>> N :: 109.67(3.87) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.25 C 0.23 M 0.09 E 0.06 R 0.02 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> CA :: 55.623 CB :: 29.657 CG :: 33.785 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 :: 8.069 HA :: 4.261 HB2 :: 2.011 HB3 :: 1.870 HG2 :: 2.267 HG3 :: 2.267 HE21 :: 7.487 HE22 :: 6.796 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 :: 119.143 NE2 :: 112.455 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.16 C 0.08 F 0.03 L 0.03 Y 0.03 C Shift Assignments>> CA :: 51.326 CB :: 39.011 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 :: 8.486 HA :: 4.907 HB2 :: 2.796 HB3 :: 2.649 HD21 :: 7.609 HD22 :: 6.852 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 :: 120.804 ND2 :: 113.174 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P8 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 :: 63.847 CB :: 32.170 CG :: 27.218 CD :: 50.796 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 :: 4.372 HB2 :: 2.240 HB3 :: 1.878 HG2 :: 1.927 HG3 :: 1.927 HD2 :: 3.712 HD3 :: 3.712 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.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.15 C 0.11 Y 0.1 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> CA :: 53.950 CB :: 38.606 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 :: 8.412 HA :: 4.619 HB2 :: 2.751 HB3 :: 2.751 HD21 :: 7.591 HD22 :: 6.929 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 :: 117.341 ND2 :: 112.890 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.43 A 0.06 C Shift Assignments>> CA :: 56.286 CB :: 31.520 CG :: 31.985 CE :: 16.674 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 :: 8.023 HA :: 4.435 HB2 :: 2.095 HB3 :: 2.006 HG2 :: 2.598 HG3 :: 2.470 HE1 :: 1.718 HE2 :: 1.718 HE3 :: 1.718 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 :: 119.997 Ave N Shift Values>> N :: 120.09(3.57) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.15 L 0.12 C 0.11 N 0.05 I 0.04 K 0.02 C Shift Assignments>> CA :: 56.673 CB :: 40.094 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 :: 8.416 HA :: 4.382 HB2 :: 2.673 HB3 :: 2.673 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 :: 120.621 Ave N Shift Values>> N :: 120.65(3.86) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.27 E 0.06 R 0.04 M 0.03 I 0.01 HN Overlap>> 1.K104 1.V74 1.K104 1.V74 C Shift Assignments>> CA :: 57.873 CB :: 28.959 CG :: 33.775 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 :: 8.264 HA :: 4.001 HB2 :: 1.880 HB3 :: 1.657 HG2 :: 2.045 HG3 :: 1.948 HE21 :: 6.801 HE22 :: 6.588 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.415 NE2 :: 112.532 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> CA :: 62.912 CB :: 36.929 CD1 :: 131.446 CD2 :: 131.446 CE1 :: 131.148 CE2 :: 131.148 CZ :: 129.755 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 :: 7.624 HA :: 3.847 HB2 :: 2.743 HB3 :: 2.063 HD1 :: 7.080 HD2 :: 7.080 HE1 :: 7.188 HE2 :: 7.188 HZ :: 7.080 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.941 Ave N Shift Values>> N :: 120.45(4.18) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 K 0.12 I 0.12 Q 0.09 M 0.01 HN Overlap>> 1.Q6 1.Q6 C Shift Assignments>> CA :: 58.950 CB :: 28.921 CG :: 35.706 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 :: 8.005 HA :: 4.538 HB2 :: 2.183 HB3 :: 1.999 HG2 :: 2.401 HG3 :: 2.359 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 :: 119.080 Ave N Shift Values>> N :: 120.67(3.48) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.235 CB :: 17.894 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.104 HA :: 4.151 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.061 Ave N Shift Values>> N :: 123.23(3.54) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 Y 0.18 C Shift Assignments>> CA :: 58.292 CB :: 37.264 CD1 :: 130.468 CD2 :: 130.468 CE1 :: 118.294 CE2 :: 118.294 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 :: 8.245 HA :: 4.567 HB2 :: 3.651 HB3 :: 3.143 HD1 :: 7.090 HD2 :: 7.090 HE1 :: 6.843 HE2 :: 6.843 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 :: 117.782 Ave N Shift Values>> N :: 120.52(4.2) 1.F17 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 C Shift Assignments>> CA :: 62.212 CB :: 39.293 CD1 :: 131.551 CD2 :: 131.551 CE1 :: 130.639 CE2 :: 130.639 CZ :: 129.193 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 :: 8.348 HA :: 3.503 HB2 :: 3.579 HB3 :: 3.292 HD1 :: 6.909 HD2 :: 6.909 HE1 :: 6.889 HE2 :: 6.889 HZ :: 6.853 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 :: 121.156 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.12 C Shift Assignments>> CA :: 59.011 CB :: 32.331 CG :: 25.438 CD :: 29.031 CE :: 42.159 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 :: 8.211 HA :: 3.766 HB2 :: 1.891 HB3 :: 1.828 HG2 :: 1.677 HG3 :: 1.484 HD2 :: 1.692 HD3 :: 1.692 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 :: 115.768 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 K 0.07 G 0.04 C Shift Assignments>> CA :: 57.301 CB :: 30.474 CG :: 27.310 CD :: 43.139 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 :: 7.624 HA :: 3.969 HB2 :: 1.988 HB3 :: 1.988 HG2 :: 1.814 HG3 :: 1.814 HD2 :: 3.311 HD3 :: 3.224 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.965 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.A20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.72 M 0.25 C 0.01 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> CA :: 53.010 CB :: 18.067 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.753 HA :: 3.834 HB1 :: 0.244(S) HB2 :: 0.244(S) HB3 :: 0.244(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.037 Ave N Shift Values>> N :: 123.23(3.54) 1.D21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.63 C 0.12 D 0.07 Y 0.05 F 0.04 M 0.02 E 0.02 L 0.01 C Shift Assignments>> CA :: 52.493 CB :: 37.722 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.053 HA :: 4.194 HB2 :: 2.406 HB3 :: 1.505(S) 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 :: 115.735 Ave N Shift Values>> N :: 120.65(3.86) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 R 0.07 G 0.01 C Shift Assignments>> CA :: 57.700 CB :: 42.448 CG :: 26.840 CD1 :: 25.432 CD2 :: 22.371 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 :: 7.707 HA :: 3.892 HB2 :: 1.762 HB3 :: 1.448 HG :: 1.681 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.325 Ave N Shift Values>> N :: 121.86(3.9) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.29 L 0.09 F 0.06 C 0.06 Y 0.05 C Shift Assignments>> CA :: 52.848 CB :: 39.843 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.960 HA :: 4.502 HB2 :: 2.985 HB3 :: 2.510 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 :: 113.010 Ave N Shift Values>> N :: 120.65(3.86) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> CA :: 47.340 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.467 HA2 :: 3.801 HA3 :: 3.667 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.823 Ave N Shift Values>> N :: 109.67(3.87) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.22 L 0.16 F 0.09 Y 0.07 C 0.06 K 0.02 C Shift Assignments>> CA :: 53.739 CB :: 40.440 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 :: 8.191 HA :: 4.360 HB2 :: 2.880 HB3 :: 2.352 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 :: 120.248 Ave N Shift Values>> N :: 120.65(3.86) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 45.994 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.425 HA2 :: 4.061 HA3 :: 3.473 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.032 Ave N Shift Values>> N :: 109.67(3.87) 1.R27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 K 0.21 R 0.2 G 0.14 C Shift Assignments>> CA :: 53.722 CB :: 33.942 CG :: 25.825 CD :: 43.294 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.015 HA :: 4.843 HB2 :: 1.601 HB3 :: 1.475 HG2 :: 1.285 HG3 :: 1.191 HD2 :: 2.391 HD3 :: 2.231(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.611 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.I28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 A 0.09 C Shift Assignments>> CA :: 56.981 CB :: 35.953 CG1 :: 25.027 CG2 :: 16.928 CD1 :: 8.450 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.633 HA :: 4.934 HB :: 2.187 HG12 :: 1.021 HG13 :: 0.016 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 HD11 :: -0.501(S) HD12 :: -0.501(S) HD13 :: -0.501(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.945 Ave N Shift Values>> N :: 121.46(4.28) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 57.009 CB :: 65.834 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.467 HA :: 4.770 HB2 :: 4.126 HB3 :: 4.126 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 :: 125.230 Ave N Shift Values>> N :: 116.28(3.52) 1.G30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> CA :: 47.384 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.968 HA2 :: 3.036 HA3 :: 2.369(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.987 Ave N Shift Values>> N :: 109.67(3.87) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.02 I 0.02 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> CA :: 54.765 CB :: 18.357 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.099 HA :: 3.938 HB1 :: 1.244 HB2 :: 1.244 HB3 :: 1.244 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.626 Ave N Shift Values>> N :: 123.23(3.54) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.3 I 0.22 K 0.02 M 0.01 HN Overlap>> 1.A20 1.A20 C Shift Assignments>> CA :: 58.561 CB :: 29.361 CG :: 37.459 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 :: 7.850 HA :: 3.907 HB2 :: 2.412 HB3 :: 2.108 HG2 :: 2.499 HG3 :: 2.185 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 :: 120.062 Ave N Shift Values>> N :: 120.67(3.48) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.33 I 0.06 C 0.04 V 0.01 C Shift Assignments>> CA :: 55.785 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 :: 8.756 HA :: 3.672 HB1 :: 1.585 HB2 :: 1.585 HB3 :: 1.585 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.398 Ave N Shift Values>> N :: 123.23(3.54) 1.V34 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 :: 66.707 CB :: 31.585 CG1 :: 21.002 CG2 :: 22.530 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 :: 7.995 HA :: 3.590 HB :: 1.924 HG11 :: 0.828 HG12 :: 0.828 HG13 :: 0.828 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 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 :: 116.781 Ave N Shift Values>> N :: 121.14(4.54) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> CA :: 46.892 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.619 HA2 :: 3.893 HA3 :: 3.803 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.854 Ave N Shift Values>> N :: 109.67(3.87) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> CA :: 61.156 CB :: 39.840 CD1 :: 131.269 CD2 :: 131.269 CE1 :: 130.968 CE2 :: 130.968 CZ :: 128.993 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 :: 7.907 HA :: 4.210 HB2 :: 3.280 HB3 :: 2.607 HD1 :: 6.674 HD2 :: 6.674 HE1 :: 6.840 HE2 :: 6.840 HZ :: 6.453 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.049 Ave N Shift Values>> N :: 120.45(4.18) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> CA :: 58.013 CB :: 38.165 CD1 :: 130.677 CD2 :: 130.677 CE1 :: 130.585 CE2 :: 130.585 CZ :: 130.232 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 :: 8.878 HA :: 4.251 HB2 :: 3.413 HB3 :: 3.130 HD1 :: 7.165 HD2 :: 7.165 HE1 :: 7.225 HE2 :: 7.225 HZ :: 7.317 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 :: 113.243 Ave N Shift Values>> N :: 120.45(4.18) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.23 K 0.23 R 0.1 E 0.03 I 0.02 M 0.01 C Shift Assignments>> CA :: 58.952 CB :: 28.059 CG :: 33.589 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 :: 7.631 HA :: 4.214 HB2 :: 2.181 HB3 :: 2.100 HG2 :: 2.570 HG3 :: 2.535 HE21 :: 7.441 HE22 :: 6.822 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 :: 123.561 NE2 :: 112.290 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G39 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>> CA :: 45.784 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.709 HA2 :: 4.363 HA3 :: 3.750 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.200 Ave N Shift Values>> N :: 109.67(3.87) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> CA :: 59.969 CB :: 65.940 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.044 HA :: 4.269 HB2 :: 3.847 HB3 :: 3.671 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 :: 114.659 Ave N Shift Values>> N :: 116.28(3.52) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.142 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.911 HA2 :: 4.084 HA3 :: 3.806 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.308 Ave N Shift Values>> N :: 109.67(3.87) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.23 C 0.21 G 0.14 A 0.12 C Shift Assignments>> CA :: 53.404 CB :: 43.480 CG :: 26.667 CD1 :: 27.719 CD2 :: 22.617 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 :: 7.232 HA :: 4.521 HB2 :: 1.583 HB3 :: 1.228 HG :: 1.517 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 0.748 HD22 :: 0.748 HD23 :: 0.748 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.977 Ave N Shift Values>> N :: 121.86(3.9) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.273 CB :: 64.964 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.406 HA :: 4.311 HB2 :: 4.327 HB3 :: 3.998 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 :: 115.975 Ave N Shift Values>> N :: 116.28(3.52) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.07 C Shift Assignments>> CA :: 59.782 CB :: 32.179 CG :: 25.077 CD :: 29.227 CE :: 42.066 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 :: 8.773 HA :: 3.849 HB2 :: 1.829 HB3 :: 1.763 HG2 :: 1.517 HG3 :: 1.403 HD2 :: 1.628 HD3 :: 1.628 HE2 :: 2.926 HE3 :: 2.926 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 :: 121.041 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.21 K 0.19 R 0.07 E 0.05 I 0.04 C Shift Assignments>> CA :: 59.512 CB :: 28.012 CG :: 33.981 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 :: 8.520 HA :: 4.050 HB2 :: 2.061 HB3 :: 1.938 HG2 :: 2.443 HG3 :: 2.383 HE21 :: 7.475 HE22 :: 6.825 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 :: 118.323 NE2 :: 111.844 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> CA :: 66.101 CB :: 31.390 CG1 :: 22.153 CG2 :: 23.581 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 :: 7.535 HA :: 3.814 HB :: 2.024 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 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 :: 122.791 Ave N Shift Values>> N :: 121.14(4.54) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 R 0.01 HN Overlap>> 1.S70 1.S70 C Shift Assignments>> CA :: 58.249 CB :: 41.282 CG :: 26.411 CD1 :: 25.589 CD2 :: 23.000 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 :: 8.252 HA :: 3.787 HB2 :: 1.845 HB3 :: 1.299 HG :: 1.626 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.577 HD22 :: 0.577 HD23 :: 0.577 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 :: 119.948 Ave N Shift Values>> N :: 121.86(3.9) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.03 C 0.02 HN Overlap>> 1.A31 1.A31 C Shift Assignments>> CA :: 55.051 CB :: 17.746 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.130 HA :: 4.250 HB1 :: 1.478 HB2 :: 1.478 HB3 :: 1.478 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.588 Ave N Shift Values>> N :: 123.23(3.54) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.24 Q 0.22 R 0.11 E 0.02 M 0.02 I 0.01 C Shift Assignments>> CA :: 58.903 CB :: 28.075 CG :: 33.307 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 :: 7.684 HA :: 4.076 HB2 :: 2.336 HB3 :: 2.140 HG2 :: 2.464 HG3 :: 2.135 HE21 :: 7.215 HE22 :: 6.651 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 :: 121.358 NE2 :: 110.197 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> CA :: 66.692 CB :: 37.950 CG1 :: 30.740 CG2 :: 16.787 CD1 :: 14.203 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 :: 8.582 HA :: 3.314 HB :: 1.757 HG12 :: 1.764 HG13 :: 0.594 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 HD11 :: 0.434 HD12 :: 0.434 HD13 :: 0.434 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 :: 120.090 Ave N Shift Values>> N :: 121.46(4.28) 1.W51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> CA :: 61.495 CB :: 28.492 CD1 :: 127.410 CE3 :: 118.613 CZ2 :: 114.039 CZ3 :: 122.574 CH2 :: 124.125 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.557 HA :: 4.042 HB2 :: 3.372 HB3 :: 3.372 HD1 :: 7.139 HE1 :: 10.144 HE3 :: 7.376 HZ2 :: 6.950 HZ3 :: 6.732 HH2 :: 6.947 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.597 NE1 :: 129.839 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.800 CB :: 63.053 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.054 HA :: 4.025 HB2 :: 4.001 HB3 :: 4.001 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 :: 113.274 Ave N Shift Values>> N :: 116.28(3.52) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.3 R 0.17 G 0.09 A 0.02 C Shift Assignments>> CA :: 56.365 CB :: 43.462 CG :: 26.799 CD1 :: 26.806 CD2 :: 22.655 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 :: 8.000 HA :: 3.946 HB2 :: 1.670 HB3 :: 1.134 HG :: 1.784 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.837 Ave N Shift Values>> N :: 121.86(3.9) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.475 CB :: 63.422 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.444 HA :: 4.278 HB2 :: 3.574 HB3 :: 3.466 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 :: 113.755 Ave N Shift Values>> N :: 116.28(3.52) 1.D55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.67 C 0.13 D 0.05 Y 0.03 F 0.03 M 0.02 E 0.01 L 0.01 C Shift Assignments>> CA :: 51.733 CB :: 37.544 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.492 HA :: 4.435 HB2 :: 2.067 HB3 :: 1.187(S) 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 :: 121.136 Ave N Shift Values>> N :: 120.65(3.86) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.44 G 0.05 K 0.04 C Shift Assignments>> CA :: 58.628 CB :: 30.165 CG :: 27.258 CD :: 43.291 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 :: 7.673 HA :: 3.775 HB2 :: 1.740 HB3 :: 1.700 HG2 :: 1.580 HG3 :: 1.514 HD2 :: 3.144 HD3 :: 3.144 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 :: 122.778 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.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.988 CB :: 63.662 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.278 HA :: 4.354 HB2 :: 3.963 HB3 :: 3.833 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 :: 111.597 Ave N Shift Values>> N :: 116.28(3.52) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 W 0.31 H 0.28 C Shift Assignments>> CA :: 56.642 CB :: 26.057 CD2 :: 119.900 CE1 :: 136.409 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 :: 7.723 HA :: 4.088 HB2 :: 3.371 HB3 :: 3.315 HD2 :: 7.155 HE1 :: 8.382 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 :: 118.273 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 59.883 CB :: 65.183 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.391 HA :: 4.414 HB2 :: 3.879 HB3 :: 3.720 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 :: 117.119 Ave N Shift Values>> N :: 116.28(3.52) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.335 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.383 HA2 :: 4.221 HA3 :: 3.692 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.761 Ave N Shift Values>> N :: 109.67(3.87) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 G 0.24 C 0.14 C Shift Assignments>> CA :: 56.275 CB :: 43.751 CD1 :: 132.228 CD2 :: 132.228 CE1 :: 131.208 CE2 :: 131.208 CZ :: 129.900 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 :: 7.756 HA :: 5.364 HB2 :: 2.697 HB3 :: 2.637 HD1 :: 6.835 HD2 :: 6.835 HE1 :: 7.264 HE2 :: 7.264 HZ :: 7.261 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.965 Ave N Shift Values>> N :: 120.45(4.18) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 A 0.25 C 0.17 G 0.15 R 0.07 C Shift Assignments>> CA :: 53.310 CB :: 43.526 CG :: 26.059 CD1 :: 26.743 CD2 :: 21.868 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 :: 9.549 HA :: 4.719 HB2 :: 2.011 HB3 :: 1.491 HG :: 1.726 HD11 :: 0.974 HD12 :: 0.974 HD13 :: 0.974 HD21 :: 0.057 HD22 :: 0.057 HD23 :: 0.057 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.901 Ave N Shift Values>> N :: 121.86(3.9) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.33 L 0.13 C 0.05 F 0.05 Y 0.03 K 0.01 HN Overlap>> 1.V76 1.V76 C Shift Assignments>> CA :: 51.943 CB :: 40.597 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.990 HA :: 4.769 HB2 :: 3.177 HB3 :: 2.734 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 :: 122.434 Ave N Shift Values>> N :: 120.65(3.86) 1.R64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 R 0.32 K 0.09 G 0.04 C Shift Assignments>> CA :: 60.960 CB :: 30.165 CG :: 28.077 CD :: 42.826 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 :: 8.213 HA :: 3.122 HB2 :: 1.126 HB3 :: 1.022 HG2 :: 0.380(S) HG3 :: -0.005(S) HD2 :: 2.759 HD3 :: 2.721 HE :: 7.842 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.894 NE :: 86.170 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.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.23 K 0.2 R 0.11 E 0.03 I 0.02 M 0.01 C Shift Assignments>> CA :: 59.051 CB :: 27.785 CG :: 33.651 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 :: 7.858 HA :: 3.588 HB2 :: 1.936 HB3 :: 1.936 HG2 :: 2.271 HG3 :: 2.271 HE21 :: 7.443 HE22 :: 6.823 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 :: 114.684 NE2 :: 112.489 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.17 N 0.1 D 0.09 I 0.05 L 0.04 E 0.03 M 0.01 C Shift Assignments>> CA :: 56.415 CB :: 38.661 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 :: 8.653 HA :: 4.692 HB2 :: 2.891 HB3 :: 2.792 HD21 :: 8.284 HD22 :: 7.005 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 :: 117.766 ND2 :: 114.972 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> CA :: 61.387 CB :: 38.793 CD1 :: 132.116 CD2 :: 132.116 CE1 :: 130.746 CE2 :: 130.746 CZ :: 129.724 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 :: 9.292 HA :: 4.596 HB2 :: 3.222 HB3 :: 3.149 HD1 :: 7.316 HD2 :: 7.316 HE1 :: 6.924 HE2 :: 6.924 HZ :: 6.314 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 :: 123.127 Ave N Shift Values>> N :: 120.45(4.18) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 Y 0.14 W 0.01 C Shift Assignments>> CA :: 58.856 CB :: 35.311 CD1 :: 130.911 CD2 :: 130.911 CE1 :: 118.006 CE2 :: 118.006 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 :: 9.332 HA :: 4.418 HB2 :: 3.349 HB3 :: 2.847 HD1 :: 6.975 HD2 :: 6.975 HE1 :: 6.705 HE2 :: 6.705 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.990 Ave N Shift Values>> N :: 120.52(4.2) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.2 Y 0.17 F 0.12 N 0.11 M 0.06 I 0.03 D 0.02 K 0.01 L 0.01 C Shift Assignments>> CA :: 56.014 CB :: 37.273 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 :: 7.783 HA :: 4.437 HB2 :: 3.296 HB3 :: 2.700 HD21 :: 7.866 HD22 :: 7.087 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 :: 117.384 ND2 :: 110.656 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L47 1.L47 C Shift Assignments>> CA :: 62.977 CB :: 63.050 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.266 HA :: 3.882 HB2 :: 3.938 HB3 :: 3.738 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 :: 119.857 Ave N Shift Values>> N :: 116.28(3.52) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 R 0.19 L 0.07 K 0.01 C Shift Assignments>> CA :: 57.642 CB :: 41.508 CG :: 25.910 CD1 :: 29.117 CD2 :: 23.274 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 :: 7.839 HA :: 3.791 HB2 :: 2.426 HB3 :: 0.880 HG :: 1.288 HD11 :: 1.034 HD12 :: 1.034 HD13 :: 1.034 HD21 :: 0.759 HD22 :: 0.759 HD23 :: 0.759 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 :: 120.291 Ave N Shift Values>> N :: 121.86(3.9) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 G 0.18 R 0.05 K 0.03 HN Overlap>> 1.A91 1.A91 C Shift Assignments>> CA :: 60.345 CB :: 30.313 CG :: 30.295 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 :: 7.840 HA :: 3.975 HB2 :: 2.147 HB3 :: 2.147 HG2 :: 1.616 HG3 :: 1.508 HD2 :: 3.321 HD3 :: 3.186 HE :: 7.115 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.984 NE :: 85.930 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.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.42 R 0.07 A 0.01 C Shift Assignments>> CA :: 57.615 CB :: 41.622 CG :: 26.362 CD1 :: 26.898 CD2 :: 22.415 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 :: 7.815 HA :: 3.844 HB2 :: 2.081 HB3 :: 1.081 HG :: 1.911 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 HD21 :: 0.659 HD22 :: 0.659 HD23 :: 0.659 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 :: 115.828 Ave N Shift Values>> N :: 121.86(3.9) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> CA :: 66.938 CB :: 30.428 CG1 :: 22.473 CG2 :: 22.979 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 :: 8.163 HA :: 3.321 HB :: 2.235 HG11 :: 0.675 HG12 :: 0.675 HG13 :: 0.675 HG21 :: 0.527 HG22 :: 0.527 HG23 :: 0.527 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 :: 120.425 Ave N Shift Values>> N :: 121.14(4.54) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> CA :: 67.510 CB :: 67.589 CG2 :: 23.300 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 :: 8.365 HA :: 4.310 HB :: 3.695 HG21 :: 1.108 HG22 :: 1.108 HG23 :: 1.108 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 :: 119.741 Ave N Shift Values>> N :: 115.42(4.75) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.D63 1.D63 C Shift Assignments>> CA :: 66.942 CB :: 31.558 CG1 :: 22.140 CG2 :: 22.029 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 :: 8.029 HA :: 3.478 HB :: 2.037 HG11 :: 0.643 HG12 :: 0.643 HG13 :: 0.643 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 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 :: 122.340 Ave N Shift Values>> N :: 121.14(4.54) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.38 C 0.05 I 0.03 V 0.01 L 0.01 C Shift Assignments>> CA :: 55.319 CB :: 19.106 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.825 HA :: 4.288 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.017 Ave N Shift Values>> N :: 123.23(3.54) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.23 I 0.15 K 0.11 Q 0.09 R 0.01 C Shift Assignments>> CA :: 58.922 CB :: 27.986 CG :: 35.599 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 :: 9.088 HA :: 4.011 HB2 :: 2.458 HB3 :: 1.960 HG2 :: 2.886 HG3 :: 2.327 HE21 :: 8.119 HE22 :: 7.701 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.059 NE2 :: 112.766 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.154 CB :: 63.702 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.817 HA :: 4.515 HB2 :: 4.134 HB3 :: 3.950 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 :: 115.471 Ave N Shift Values>> N :: 116.28(3.52) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.3 K 0.17 L 0.04 G 0.01 C Shift Assignments>> CA :: 57.256 CB :: 28.528 CG :: 24.983 CD :: 28.845 CE :: 42.279 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 :: 8.054 HA :: 3.836 HB2 :: 2.141 HB3 :: 1.922 HG2 :: 1.337 HG3 :: 1.304 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.963 HE3 :: 2.963 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 :: 115.389 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.34 G 0.09 K 0.04 C Shift Assignments>> CA :: 55.104 CB :: 31.479 CG :: 27.094 CD :: 43.520 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 :: 6.869 HA :: 4.356 HB2 :: 1.619 HB3 :: 1.455 HG2 :: 1.601 HG3 :: 1.539 HD2 :: 3.087 HD3 :: 3.049 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 :: 118.032 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.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 F 0.07 N 0.07 Y 0.05 C 0.04 R 0.04 C Shift Assignments>> CA :: 54.006 CB :: 41.727 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 :: 8.162 HA :: 4.380 HB2 :: 2.471 HB3 :: 2.471 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 :: 121.460 Ave N Shift Values>> N :: 120.65(3.86) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.36 A 0.19 C Shift Assignments>> CA :: 53.090 CB :: 38.948 CG :: 26.048 CD1 :: 26.683 CD2 :: 22.937 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.414 HA :: 4.174 HB2 :: 1.681 HB3 :: 0.904 HG :: 1.603 HD11 :: 0.674 HD12 :: 0.674 HD13 :: 0.674 HD21 :: 0.587 HD22 :: 0.587 HD23 :: 0.587 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 :: 123.124 Ave N Shift Values>> N :: 121.86(3.9) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.38 S 0.03 C Shift Assignments>> CA :: 59.545 CB :: 67.889 CG2 :: 22.574 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 :: 7.410 HA :: 4.491 HB :: 4.613 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 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 :: 114.518 Ave N Shift Values>> N :: 115.42(4.75) 1.P85 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>> CA :: 66.275 CB :: 31.681 CG :: 28.097 CD :: 49.963 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 :: 4.059 HB2 :: 2.276 HB3 :: 1.826 HG2 :: 2.136 HG3 :: 1.946 HD2 :: 3.789 HD3 :: 3.789 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.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.28 I 0.26 K 0.05 Q 0.01 C Shift Assignments>> CA :: 59.813 CB :: 29.038 CG :: 36.553 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 :: 8.720 HA :: 4.013 HB2 :: 1.967 HB3 :: 1.863 HG2 :: 2.296 HG3 :: 2.226 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 :: 116.289 Ave N Shift Values>> N :: 120.67(3.48) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> CA :: 63.407 CB :: 37.312 CG1 :: 29.553 CG2 :: 17.741 CD1 :: 11.961 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 :: 7.405 HA :: 3.779 HB :: 2.017 HG12 :: 1.548 HG13 :: 1.221 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 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 :: 123.769 Ave N Shift Values>> N :: 121.46(4.28) 1.V88 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 :: 67.039 CB :: 31.795 CG1 :: 21.579 CG2 :: 24.062 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 :: 8.460 HA :: 3.221 HB :: 1.921 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 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 :: 121.362 Ave N Shift Values>> N :: 121.14(4.54) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.15 D 0.09 L 0.06 I 0.06 N 0.06 E 0.01 C Shift Assignments>> CA :: 56.906 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 :: 8.139 HA :: 4.261 HB2 :: 2.720 HB3 :: 2.685 HD21 :: 7.762 HD22 :: 7.001 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 :: 115.613 ND2 :: 114.860 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.310 CB :: 18.194 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.543 HA :: 4.071 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.570 Ave N Shift Values>> N :: 123.23(3.54) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 C 0.02 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> CA :: 53.904 CB :: 18.754 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.772 HA :: 3.908 HB1 :: 1.198 HB2 :: 1.198 HB3 :: 1.198 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.897 Ave N Shift Values>> N :: 123.23(3.54) 1.L92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> L 0.54 C 0.25 G 0.08 R 0.06 A 0.05 C Shift Assignments>> CA :: 55.406 CB :: 43.343 CG :: 26.627 CD1 :: 25.364 CD2 :: 22.362 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 :: 7.503 HA :: 4.456 HB2 :: 1.633 HB3 :: 1.257 HG :: 1.821 HD11 :: 0.715 HD12 :: 0.715 HD13 :: 0.715 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 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 :: 108.175(S) Ave N Shift Values>> N :: 121.86(3.9) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.3 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> CA :: 53.253 CB :: 39.926 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 :: 8.201 HA :: 5.038 HB2 :: 2.974 HB3 :: 2.740 HD21 :: 7.619 HD22 :: 6.767 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 :: 115.082 ND2 :: 113.207 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 C Shift Assignments>> CA :: 59.849 CB :: 70.200 CG2 :: 21.459 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 :: 7.119 HA :: 5.015 HB :: 4.501 HG21 :: 1.236 HG22 :: 1.236 HG23 :: 1.236 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.742 Ave N Shift Values>> N :: 115.42(4.75) 1.P95 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 :: 64.874 CB :: 31.642 CG :: 27.898 CD :: 51.518 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 :: 4.376 HB2 :: 2.393 HB3 :: 1.838 HG2 :: 2.069 HG3 :: 1.910 HD2 :: 3.888 HD3 :: 3.748 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.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 C 0.01 I 0.01 C Shift Assignments>> CA :: 54.291 CB :: 18.011 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.617 HA :: 3.984 HB1 :: 1.291 HB2 :: 1.291 HB3 :: 1.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.039 Ave N Shift Values>> N :: 123.23(3.54) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.24 C 0.07 L 0.03 V 0.02 I 0.01 C Shift Assignments>> CA :: 55.133 CB :: 19.698 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.875 HA :: 4.083 HB1 :: 1.387 HB2 :: 1.387 HB3 :: 1.387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.790 Ave N Shift Values>> N :: 123.23(3.54) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> CA :: 53.739 CB :: 18.883 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.260 HA :: 4.021 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.100 Ave N Shift Values>> N :: 123.23(3.54) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.34 R 0.14 C Shift Assignments>> CA :: 55.314 CB :: 32.906 CG :: 25.095 CD :: 28.916 CE :: 42.179 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 :: 7.509 HA :: 4.258 HB2 :: 1.981 HB3 :: 1.707 HG2 :: 1.378 HG3 :: 1.342 HD2 :: 1.590 HD3 :: 1.590 HE2 :: 2.918 HE3 :: 2.918 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 :: 114.581 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> CA :: 60.031 CB :: 39.019 CG1 :: 28.145 CG2 :: 16.484 CD1 :: 13.682 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 :: 7.260 HA :: 4.239 HB :: 1.799 HG12 :: 1.803 HG13 :: 1.072 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 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 :: 123.523 Ave N Shift Values>> N :: 121.46(4.28) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 P 0.49 C Shift Assignments>> CA :: 61.636 CB :: 30.787 CG :: 26.774 CD :: 51.145 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 :: 4.767 HB2 :: 2.251 HB3 :: 1.935 HG2 :: 1.954 HG3 :: 1.918 HD2 :: 4.026 HD3 :: 3.720 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.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.89 P 0.09 C Shift Assignments>> CA :: 60.556 CB :: 29.289 CG :: 27.177 CD :: 49.666 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 :: 3.981 HB2 :: 1.497 HB3 :: 1.112 HG2 :: 1.810 HG3 :: 1.297 HD2 :: 3.584 HD3 :: 3.485 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.P103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> CA :: 62.641 CB :: 32.970 CG :: 27.230 CD :: 50.095 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 :: 4.390 HB2 :: 2.222 HB3 :: 1.511 HG2 :: 1.917 HG3 :: 1.606 HD2 :: 3.552 HD3 :: 3.151 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) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.35 R 0.17 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> CA :: 55.963 CB :: 32.185 CG :: 24.521 CD :: 28.965 CE :: 42.176 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 :: 8.357 HA :: 4.350 HB2 :: 1.667 HB3 :: 1.667 HG2 :: 1.379 HG3 :: 1.256 HD2 :: 1.578 HD3 :: 1.578 HE2 :: 2.906 HE3 :: 2.906 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.427 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 I 0.29 A 0.01 C Shift Assignments>> CA :: 58.208 CB :: 38.252 CG1 :: 25.623 CG2 :: 16.339 CD1 :: 10.850 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 :: 7.730 HA :: 3.911 HB :: 1.415 HG12 :: 0.690 HG13 :: 0.623 HG21 :: -0.035 HG22 :: -0.035 HG23 :: -0.035 HD11 :: 0.233 HD12 :: 0.233 HD13 :: 0.233 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 :: 126.078 Ave N Shift Values>> N :: 121.46(4.28) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.17 C 0.09 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> CA :: 52.987 CB :: 38.808 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 :: 8.235 HA :: 4.630 HB2 :: 2.759 HB3 :: 2.633 HD21 :: 7.533 HD22 :: 6.802 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 :: 125.293 ND2 :: 112.884 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.23 R 0.06 G 0.04 A 0.02 C Shift Assignments>> CA :: 54.739 CB :: 42.878 CG :: 26.848 CD1 :: 25.406 CD2 :: 23.446 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 :: 8.431 HA :: 4.341 HB2 :: 1.549 HB3 :: 1.549 HG :: 1.539 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.781 HD22 :: 0.781 HD23 :: 0.781 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.999 Ave N Shift Values>> N :: 121.86(3.9) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.259 CB :: 63.976 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.245 HA :: 4.357 HB2 :: 3.799 HB3 :: 3.799 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 :: 116.956 Ave N Shift Values>> N :: 116.28(3.52) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.09 C 0.05 L 0.05 C Shift Assignments>> CA :: 53.921 CB :: 20.116 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.888 HA :: 4.047 HB1 :: 1.256 HB2 :: 1.256 HB3 :: 1.256 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.172 Ave N Shift Values>> N :: 123.23(3.54) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 100 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 107 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 1 C Shift Results: #Consistent: 362 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 735 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 117 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.F17 SRO Rule Break>> HA > HB2 : 0.995201919232307 1.A20 HB1 = 0.244(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1013e-05 1.A20 HB2 = 0.244(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1013e-05 1.A20 HB3 = 0.244(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1013e-05 1.D21 HB3 = 1.505(S), Expected = 2.66, Std = 0.2800, ChiSquare = 3.7073e-05 1.R27 HD3 = 2.231(S), Expected = 3.10, Std = 0.2600, ChiSquare = 8.3085e-04 1.I28 HD11 = -0.501(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6528e-05 1.I28 HD12 = -0.501(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6528e-05 1.I28 HD13 = -0.501(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6528e-05 1.G30 HA3 = 2.369(S), Expected = 3.90, Std = 0.3700, ChiSquare = 3.5059e-05 1.D55 HB3 = 1.187(S), Expected = 2.66, Std = 0.2800, ChiSquare = 1.4350e-07 1.R64 HG2 = 0.380(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.0462e-05 1.R64 HG3 = -0.005(S), Expected = 1.54, Std = 0.2900, ChiSquare = 9.9527e-08 1.L92 N = 108.175(S), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4984e-04