Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall Status: Residue type G not supported. 1.G2 Overall Status: Residue type G not supported. 1.G3 Overall Status: Residue type G not supported. 1.C4 Overall Status: Residue type C not supported. 1.C5 Overall Status: Residue type C not supported. 1.A6 Overall Status: Residue type A not supported. 1.C7 Overall Status: Residue type C not supported. 1.A8 Overall Status: Residue type A not supported. 1.C9 Overall Status: Residue type C not supported. 1.C10 Overall Status: Residue type C not supported. 1.U11 Overall Status: Residue type U not supported. 1.C12 Overall Status: Residue type C not supported. 1.U13 Overall Status: Residue type U not supported. 1.U14 Overall Status: Residue type U not supported. 1.G15 Overall Status: Residue type G not supported. 1.G16 Overall Status: Residue type G not supported. 1.G17 Overall Status: Residue type G not supported. 1.C18 Overall Status: Residue type C not supported. 1.C19 Overall Status: Residue type C not supported. 1.U20 Overall Status: Residue type U not supported. 1.G21 Overall Status: Residue type G not supported. 1.G22 Overall Status: Residue type G not supported. 1.U23 Overall Status: Residue type U not supported. 1.U24 Overall Status: Residue type U not supported. 1.A25 Overall Status: Residue type A not supported. 1.G26 Overall Status: Residue type G not supported. 1.U27 Overall Status: Residue type U not supported. 1.A28 Overall Status: Residue type A not supported. 1.C29 Overall Status: Residue type C not supported. 1.C30 Overall Status: Residue type C not supported. 1.U31 Overall Status: Residue type U not supported. 1.G32 Overall Status: Residue type G not supported. 1.U33 Overall Status: Residue type U not supported. 1.U34 Overall Status: Residue type U not supported. 1.C35 Overall Status: Residue type C not supported. 1.G36 Overall Status: Residue type G not supported. 1.C37 Overall Status: Residue type C not supported. 1.U38 Overall Status: Residue type U not supported. 1.G39 Overall Status: Residue type G not supported. 1.G40 Overall Status: Residue type G not supported. 1.G41 Overall Status: Residue type G not supported. 1.A42 Overall Status: Residue type A not supported. 1.A43 Overall Status: Residue type A not supported. 1.U44 Overall Status: Residue type U not supported. 1.A45 Overall Status: Residue type A not supported. 1.C46 Overall Status: Residue type C not supported. 1.C47 Overall Status: Residue type C not supported. 1.A48 Overall Status: Residue type A not supported. 1.G49 Overall Status: Residue type G not supported. 1.G50 Overall Status: Residue type G not supported. 1.U51 Overall Status: Residue type U not supported. 1.G52 Overall Status: Residue type G not supported. 1.C53 Overall Status: Residue type C not supported. 1.C54 Overall Status: Residue type C not supported. 1.C55 Overall Status: Residue type C not supported. 2.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.51 C 0.25 A 0.23 C Shift Assignments>> CA :: 53.980 CB :: 33.481 CG :: 31.440 CE :: 16.643 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>> HA :: 4.252 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 2.623 HG3 :: 2.528 HE1 :: 1.887 HE2 :: 1.887 HE3 :: 1.887 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) 2.Y2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> CA :: 57.714 CB :: 39.260 CD1 :: 134.217 CE1 :: 118.746 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 :: 9.289 HA :: 4.719 HB2 :: 3.161 HB3 :: 2.831 HD1 :: 7.212 HE1 :: 7.231 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 :: 121.533 Ave N Shift Values>> N :: 120.52(4.2) 2.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> CA :: 61.469 CB :: 34.346 CG1 :: 21.404 CG2 :: 20.542 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 :: 8.725 HA :: 4.534 HB :: 1.763 HG11 :: 0.826 HG12 :: 0.826 HG13 :: 0.826 HG21 :: 0.597 HG22 :: 0.597 HG23 :: 0.597 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 :: 125.566 Ave N Shift Values>> N :: 121.14(4.54) 2.C4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 W 0.18 V 0.11 E 0.1 R 0.09 H 0.08 Q 0.05 K 0.04 M 0.02 P 0.02 C Shift Assignments>> CA :: 60.419 CB :: 30.493 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.056 HA :: 4.402 HB2 :: 3.443 HB3 :: 2.925 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 :: 128.189 Ave N Shift Values>> N :: 120.17(4.64) 2.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.37 C 0.23 C Shift Assignments>> CA :: 55.236 CB :: 29.013 CD2 :: 120.074 CE1 :: 136.289 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.164 HA :: 4.994 HB2 :: 3.534 HB3 :: 3.148 HD2 :: 7.351 HE1 :: 8.551 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 :: 126.963 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.35 C 0.22 C Shift Assignments>> CA :: 59.983 CB :: 38.936 CD1 :: 132.091 CE1 :: 131.033 CZ :: 130.207 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 :: 8.750 HA :: 4.093 HB2 :: 2.650 HB3 :: 2.356 HD1 :: 7.030 HE1 :: 7.295 HZ :: 7.287 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.445 Ave N Shift Values>> N :: 120.45(4.18) 2.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.15 Q 0.11 M 0.01 C Shift Assignments>> CA :: 57.751 CB :: 28.865 CG :: 35.841 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 :: 8.455 HA :: 3.787 HB2 :: 1.823 HB3 :: 1.823 HG2 :: 2.044 HG3 :: 2.044 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.295 Ave N Shift Values>> N :: 120.67(3.48) 2.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.17 Y 0.11 F 0.08 E 0.08 D 0.06 M 0.04 L 0.01 C Shift Assignments>> CA :: 54.270 CB :: 37.564 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 :: 8.788 HA :: 4.383 HB2 :: 3.117 HB3 :: 2.937 HD21 :: 7.706 HD22 :: 6.991 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.400 ND2 :: 114.063 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 W 0.2 E 0.08 K 0.08 V 0.07 R 0.06 H 0.06 Q 0.05 P 0.03 C Shift Assignments>> CA :: 61.236 CB :: 29.257 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.984 HA :: 4.588 HB2 :: 3.131 HB3 :: 3.044 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 :: 121.236 Ave N Shift Values>> N :: 120.17(4.64) 2.G10 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 :: 45.887 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.144 HA2 :: 4.032 HA3 :: 3.868 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.400 Ave N Shift Values>> N :: 109.67(3.87) 2.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.34 R 0.24 C Shift Assignments>> CA :: 57.884 CB :: 33.305 CG :: 26.309 CD :: 28.856 CE :: 42.304 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 :: 8.132 HA :: 3.907 HB2 :: 1.408 HB3 :: 1.274 HG2 :: 1.472 HG3 :: 1.281 HD2 :: 1.479 HD3 :: 1.479 HE2 :: 3.010 HE3 :: 3.010 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.606 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.32 C 0.17 K 0.01 G 0.01 C Shift Assignments>> CA :: 49.875 CB :: 22.847 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.747 HA :: 5.128 HB1 :: 1.175 HB2 :: 1.175 HB3 :: 1.175 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.453 Ave N Shift Values>> N :: 123.23(3.54) 2.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.23 C 0.13 G 0.12 C Shift Assignments>> CA :: 56.827 CB :: 43.422 CD1 :: 132.342 CE1 :: 130.829 CZ :: 128.804 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 :: 8.961 HA :: 4.731 HB2 :: 3.610 HB3 :: 2.678 HD1 :: 7.230 HE1 :: 6.880 HZ :: 6.241 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 :: 118.078 Ave N Shift Values>> N :: 120.45(4.18) 2.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.39 R 0.16 G 0.01 C Shift Assignments>> CA :: 58.951 CB :: 33.476 CG :: 25.667 CD :: 29.008 CE :: 42.303 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.189 HA :: 4.447 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 1.610 HG3 :: 1.514 HD2 :: 1.744 HD3 :: 1.744 HE2 :: 3.013 HE3 :: 3.013 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.335 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 K 0.23 R 0.19 G 0.1 A 0.03 C Shift Assignments>> CA :: 52.174 CB :: 34.396 CG :: 24.281 CD :: 27.170 CE :: 42.642 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 :: 7.777 HA :: 5.266 HB2 :: 1.445 HB3 :: 1.314 HG2 :: 1.215 HG3 :: 0.684 HD2 :: 0.871(S) HD3 :: 0.522(S) HE2 :: 2.814 HE3 :: 2.609 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 :: 113.249 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.H16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 W 0.29 H 0.18 C Shift Assignments>> CA :: 59.098 CB :: 25.784 CD2 :: 121.772 CE1 :: 137.114 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 :: 10.495(S) HA :: 3.608 HB2 :: 2.935 HB3 :: 2.173 HD2 :: 6.637 HE1 :: 9.110 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 :: 126.541 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.22 F 0.18 E 0.12 N 0.1 D 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 56.386 CB :: 37.799 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 :: 8.801 HA :: 4.624 HB2 :: 2.868 HB3 :: 2.752 HD21 :: 7.626 HD22 :: 7.094 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.678 ND2 :: 114.428 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Q18 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 M 0.01 C Shift Assignments>> CA :: 57.722 CB :: 27.684 CG :: 33.655 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 :: 6.874 HA :: 3.915 HB2 :: 1.953 HB3 :: 1.953 HG2 :: 2.505 HG3 :: 2.334 HE21 :: 7.531 HE22 :: 6.947 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 :: 118.895 NE2 :: 111.389 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.47 C Shift Assignments>> CA :: 57.594 CB :: 40.094 CG :: 27.218 CD1 :: 26.349 CD2 :: 23.329 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 :: 6.866 HA :: 3.357 HB2 :: 2.139 HB3 :: 1.327 HG :: 1.596 HD11 :: 1.064 HD12 :: 1.064 HD13 :: 1.064 HD21 :: 1.162 HD22 :: 1.162 HD23 :: 1.162 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 :: 121.287 Ave N Shift Values>> N :: 121.86(3.9) 2.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.32 R 0.18 C Shift Assignments>> CA :: 59.847 CD :: 29.543 CE :: 42.099 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 :: 7.769 HA :: 3.945 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 2.816 HE3 :: 2.622 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 :: 121.284 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 66.385 CB :: 32.653 CG1 :: 23.552 CG2 :: 21.336 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 :: 7.904 HA :: 3.825 HB :: 2.094 HG11 :: 1.501 HG12 :: 1.501 HG13 :: 1.501 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 117.342 Ave N Shift Values>> N :: 121.14(4.54) 2.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.42 H 0.08 C Shift Assignments>> CA :: 58.470 CB :: 28.361 CD2 :: 127.767 CE1 :: 139.440 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 :: 7.607 HA :: 4.412 HB2 :: 3.167 HB3 :: 2.919 HD2 :: 7.110 HE1 :: 7.952 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 :: 118.653 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.22 Q 0.11 K 0.11 R 0.02 C Shift Assignments>> CA :: 59.585 CB :: 27.727 CG :: 35.423 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 :: 8.522 HA :: 3.645 HB2 :: 2.383 HB3 :: 2.146 HG2 :: 2.909 HG3 :: 2.854 HE21 :: 7.556 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 :: 118.973 NE2 :: 114.326 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.34 C 0.22 C Shift Assignments>> CA :: 60.094 CB :: 39.123 CD1 :: 131.729 CE1 :: 131.154 CZ :: 130.300 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 :: 7.290 HA :: 4.473 HB2 :: 3.289 HB3 :: 3.209 HD1 :: 7.204 HE1 :: 7.210 HZ :: 7.209 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 :: 118.905 Ave N Shift Values>> N :: 120.45(4.18) 2.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.966 CB :: 62.585 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.868 HA :: 4.014 HB2 :: 3.795 HB3 :: 3.574 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 :: 114.002 Ave N Shift Values>> N :: 116.28(3.52) 2.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.34 H 0.14 C Shift Assignments>> CA :: 55.722 CB :: 28.858 CD2 :: 127.278 CE1 :: 139.448 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 :: 7.040 HA :: 4.486 HB2 :: 2.522 HB3 :: 2.050 HD1 :: 12.334 HD2 :: 6.222 HE1 :: 8.031 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.133 ND1 :: 169.542 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.682 CB :: 70.194 CG2 :: 21.319 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 :: 7.806 HA :: 4.317 HB :: 4.346 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 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 :: 108.273 Ave N Shift Values>> N :: 115.42(4.75) 2.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.27 R 0.12 K 0.12 E 0.06 C Shift Assignments>> CA :: 57.570 CB :: 27.043 CG :: 34.230 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 :: 3.326 HB2 :: 2.168 HB3 :: 2.168 HG2 :: 2.152 HG3 :: 2.152 HE21 :: 7.187 HE22 :: 6.574 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 :: 116.023 NE2 :: 112.666 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 C 0.22 M 0.18 K 0.18 E 0.06 C Shift Assignments>> CA :: 54.499 CB :: 30.177 CG :: 33.901 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 :: 8.041 HA :: 4.515 HB2 :: 1.890 HB3 :: 1.788 HG2 :: 2.335 HG3 :: 2.268 HE21 :: 7.528 HE22 :: 6.931 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 :: 118.621 NE2 :: 112.666 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 C 0.13 A 0.03 G 0.01 R 0.01 C Shift Assignments>> CA :: 52.255 CB :: 42.139 CG :: 26.195 CD1 :: 25.737 CD2 :: 23.845 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.815 HA :: 4.236 HB2 :: 1.557 HB3 :: 0.944 HG :: 1.513 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 HD21 :: 0.490 HD22 :: 0.490 HD23 :: 0.490 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 :: 127.361 Ave N Shift Values>> N :: 121.86(3.9) 2.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> CA :: 63.874 CB :: 32.445 CG :: 26.573 CD :: 51.210 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 :: 4.183 HB2 :: 1.820 HB3 :: 1.045 HG2 :: 1.462 HG3 :: 1.402 HD2 :: 3.673 HD3 :: 3.625 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.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> CA :: 57.806 CB :: 37.713 CD1 :: 133.037 CE1 :: 117.946 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 :: 7.793 HA :: 4.594 HB2 :: 2.968 HB3 :: 2.743 HD1 :: 6.990 HE1 :: 6.868 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 :: 116.003 Ave N Shift Values>> N :: 120.52(4.2) 2.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.34 E 0.25 Q 0.04 C Shift Assignments>> CA :: 54.521 CB :: 31.879 CG :: 35.934 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 :: 8.606 HA :: 4.666 HB2 :: 1.982 HB3 :: 1.871 HG2 :: 2.206 HG3 :: 2.112 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 :: 124.551 Ave N Shift Values>> N :: 120.67(3.48) 2.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 R 0.14 H 0.13 Q 0.11 K 0.06 M 0.06 V 0.01 C Shift Assignments>> CA :: 57.714 CB :: 30.314 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.521 HA :: 4.779 HB2 :: 3.240 HB3 :: 2.931 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 :: 127.729 Ave N Shift Values>> N :: 120.17(4.64) 2.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> CA :: 63.350 CB :: 31.935 CG :: 26.501 CD :: 51.937 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 :: 4.716 HB2 :: 2.221 HB3 :: 2.074 HG2 :: 2.160 HG3 :: 1.760 HD2 :: 4.522 HD3 :: 4.059 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.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.34 C 0.29 C Shift Assignments>> CA :: 57.164 CB :: 29.273 CD2 :: 120.133 CE1 :: 136.435 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 :: 8.803 HA :: 4.125 HB2 :: 2.676 HB3 :: 2.676 HD2 :: 6.996 HE1 :: 8.406 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.088 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 K 0.15 Q 0.11 M 0.02 C Shift Assignments>> CA :: 57.789 CB :: 29.088 CG :: 35.776 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 :: 8.671 HA :: 4.044 HB2 :: 1.958 HB3 :: 1.879 HG2 :: 2.245 HG3 :: 2.245 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 :: 128.008 Ave N Shift Values>> N :: 120.67(3.48) 2.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.266 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.095 HA2 :: 4.218 HA3 :: 3.759 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.726 Ave N Shift Values>> N :: 109.67(3.87) 2.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 E 0.13 R 0.12 H 0.1 V 0.07 Q 0.06 K 0.06 M 0.04 C Shift Assignments>> CA :: 59.480 CB :: 30.690 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.907 HA :: 4.651 HB2 :: 3.332 HB3 :: 2.763 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.586 Ave N Shift Values>> N :: 120.17(4.64) 2.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.2 N 0.17 K 0.07 F 0.06 C 0.05 Y 0.04 R 0.01 HN Overlap>> 2.F69 2.F69 C Shift Assignments>> CA :: 53.099 CB :: 41.136 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.556 HA :: 4.900 HB2 :: 2.827 HB3 :: 2.719 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 :: 125.981 Ave N Shift Values>> N :: 120.65(3.86) 2.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.32 R 0.26 G 0.01 C Shift Assignments>> CA :: 57.397 CB :: 32.885 CG :: 26.182 CD :: 28.421 CE :: 42.640 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.128 HA :: 3.949 HB2 :: 1.431 HB3 :: 1.283 HG2 :: 1.479 HG3 :: 1.479 HD2 :: 1.582 HD3 :: 1.482 HE2 :: 3.124 HE3 :: 3.124 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 :: 121.324 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.18 K 0.16 G 0.13 C Shift Assignments>> CA :: 54.007 CB :: 34.874 CG :: 27.678 CD :: 43.206 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 :: 7.444 HA :: 5.076 HB2 :: 1.685 HB3 :: 1.355 HG2 :: 1.612 HG3 :: 1.307 HD2 :: 3.320 HD3 :: 3.115 HE :: 7.211 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 :: 117.478 NE :: 84.047 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.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 F 0.25 Y 0.09 C 0.09 C Shift Assignments>> CA :: 56.864 CB :: 44.714 CD1 :: 132.294 CE1 :: 130.809 CZ :: 130.155 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 :: 8.706 HA :: 4.916 HB2 :: 3.318 HB3 :: 2.585 HD1 :: 7.131 HE1 :: 7.019 HZ :: 6.356 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 :: 114.384 Ave N Shift Values>> N :: 120.45(4.18) 2.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.193 CB :: 63.619 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.325 HA :: 4.336 HB2 :: 3.914 HB3 :: 3.673 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 :: 114.505 Ave N Shift Values>> N :: 116.28(3.52) 2.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.18 C 0.17 A 0.03 C Shift Assignments>> CA :: 51.663 CB :: 46.779 CG :: 26.676 CD1 :: 25.818 CD2 :: 23.998 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 :: 6.615 HA :: 5.034 HB2 :: 1.699 HB3 :: 1.354 HG :: 1.745 HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 HD21 :: 1.080 HD22 :: 1.080 HD23 :: 1.080 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 :: 117.548 Ave N Shift Values>> N :: 121.86(3.9) 2.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> CA :: 64.423 CB :: 31.114 CG :: 26.688 CD :: 50.174 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 :: 3.467 HB2 :: 2.002 HB3 :: 1.826 HG2 :: 2.018 HG3 :: 1.590 HD2 :: 3.791 HD3 :: 3.368 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.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.056 CB :: 60.966 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.331 HA :: 3.999 HB2 :: 3.953 HB3 :: 3.878 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 :: 113.550 Ave N Shift Values>> N :: 116.28(3.52) 2.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 K 0.16 G 0.02 C Shift Assignments>> CA :: 57.349 CB :: 30.107 CG :: 28.123 CD :: 42.841 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 :: 6.603 HA :: 4.037 HB2 :: 1.965 HB3 :: 1.965 HG2 :: 1.927 HG3 :: 1.582 HD2 :: 3.369 HD3 :: 3.228 HE :: 7.634 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 :: 123.244 NE :: 84.768 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.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.46 C Shift Assignments>> CA :: 57.594 CB :: 40.249 CG :: 27.207 CD1 :: 26.500 CD2 :: 23.203 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 :: 7.013 HA :: 3.319 HB2 :: 1.848 HB3 :: 1.246 HG :: 1.637 HD11 :: 1.078 HD12 :: 1.078 HD13 :: 1.078 HD21 :: 1.174 HD22 :: 1.174 HD23 :: 1.174 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 :: 121.558 Ave N Shift Values>> N :: 121.86(3.9) 2.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.47 C Shift Assignments>> CA :: 59.243 CB :: 32.071 CG :: 24.757 CD :: 29.204 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 :: 7.944 HA :: 4.008 HB2 :: 1.723 HB3 :: 1.723 HG2 :: 1.443 HG3 :: 1.351 HD2 :: 1.614 HD3 :: 1.614 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.973 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.36 G 0.16 HN Overlap>> 2.H52 2.H52 C Shift Assignments>> CA :: 59.107 CB :: 30.211 CG :: 27.207 CD :: 44.037 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 :: 7.464 HA :: 4.076 HB2 :: 1.965 HB3 :: 1.741 HG2 :: 1.634 HG3 :: 1.634 HD2 :: 3.238 HD3 :: 3.238 HE :: 7.242 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 :: 118.402 NE :: 85.286 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.42 H 0.06 HN Overlap>> 2.R51 2.R51 C Shift Assignments>> CA :: 58.677 CB :: 28.361 CD2 :: 127.576 CE1 :: 140.146 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 :: 7.459 HA :: 4.371 HB2 :: 3.167 HB3 :: 2.919 HD1 :: 13.076 HD2 :: 7.202 HE1 :: 8.090 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 :: 118.302 ND1 :: 174.154 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.38 K 0.07 Q 0.02 C Shift Assignments>> CA :: 60.037 CB :: 28.980 CG :: 36.459 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 :: 8.369 HA :: 3.642 HB2 :: 2.207 HB3 :: 2.207 HG2 :: 2.792 HG3 :: 2.583 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.118 Ave N Shift Values>> N :: 120.67(3.48) 2.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.13 Y 0.11 F 0.11 W 0.09 T 0.08 V 0.07 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.825 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 :: 7.091 HA :: 3.940 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.802 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V55 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 :: 64.600 CB :: 31.368 CG1 :: 20.879 CG2 :: 20.551 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 :: 7.973 HA :: 3.949 HB :: 2.039 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 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 :: 116.960 Ave N Shift Values>> N :: 121.14(4.54) 2.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.38 H 0.11 C Shift Assignments>> CA :: 56.511 CB :: 27.600 CD2 :: 127.376 CE1 :: 139.347 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 :: 6.812 HA :: 4.258 HB2 :: 2.678 HB3 :: 2.678 HD2 :: 6.306 HE1 :: 7.970 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.817 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> CA :: 53.039 CB :: 18.810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.284 HA :: 4.223 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.126 Ave N Shift Values>> N :: 123.23(3.54) 2.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.3 G 0.18 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.822 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.937 HA2 :: 3.924 HA3 :: 3.668 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.511 Ave N Shift Values>> N :: 109.67(3.87) 2.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.34 C Shift Assignments>> CA :: 55.633 CB :: 38.309 CD1 :: 133.046 CE1 :: 118.360 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 :: 8.081 HA :: 4.669 HB2 :: 2.643 HB3 :: 2.414 HD1 :: 6.960 HE1 :: 6.854 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 :: 116.133 Ave N Shift Values>> N :: 120.52(4.2) 2.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> CA :: 62.073 CB :: 32.328 CG :: 27.194 CD :: 50.706 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 :: 4.799 HB2 :: 2.277 HB3 :: 1.865 HG2 :: 1.991 HG3 :: 1.912 HD2 :: 3.607 HD3 :: 3.491 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.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.2 W 0.15 P 0.11 E 0.06 R 0.05 H 0.04 Q 0.02 K 0.02 M 0.01 C Shift Assignments>> CA :: 61.474 CB :: 30.456 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.326 HA :: 4.570 HB2 :: 3.310 HB3 :: 3.084 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.676 Ave N Shift Values>> N :: 120.17(4.64) 2.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.33 R 0.15 A 0.01 HN Overlap>> 2.D87 2.D87 C Shift Assignments>> CA :: 54.651 CB :: 32.263 CG :: 24.038 CD :: 28.285 CE :: 41.650 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 :: 8.182 HA :: 4.765 HB2 :: 2.188 HB3 :: 1.671 HG2 :: 1.544 HG3 :: 1.450 HD2 :: 1.751 HD3 :: 1.675 HE2 :: 2.988 HE3 :: 2.988 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 :: 126.970 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 K 0.31 R 0.27 C Shift Assignments>> CA :: 56.044 CB :: 31.281 CG :: 25.086 CD :: 27.226 CE :: 41.636 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 :: 8.799 HA :: 4.085 HB2 :: 1.315 HB3 :: 0.825(S) HG2 :: 1.606 HG3 :: 1.151 HD2 :: 1.622 HD3 :: 1.596 HE2 :: 2.971 HE3 :: 2.862 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 :: 121.319 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.28 R 0.11 D 0.06 C 0.04 F 0.01 C Shift Assignments>> CA :: 53.329 CB :: 44.414 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 :: 7.285 HA :: 4.659 HB2 :: 2.532 HB3 :: 2.474 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 :: 116.641 Ave N Shift Values>> N :: 120.65(3.86) 2.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.2 Y 0.18 L 0.17 C 0.09 K 0.07 N 0.05 C Shift Assignments>> CA :: 56.276 CB :: 40.543 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 :: 8.949 HA :: 4.498 HB2 :: 2.747 HB3 :: 2.747 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 :: 125.656 Ave N Shift Values>> N :: 120.65(3.86) 2.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.519 CB :: 64.075 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.922 HA :: 4.547 HB2 :: 3.997 HB3 :: 3.912 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 :: 114.354 Ave N Shift Values>> N :: 116.28(3.52) 2.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.19 E 0.12 R 0.1 H 0.09 Q 0.07 K 0.07 V 0.06 M 0.02 HN Overlap>> 2.D87 2.D87 C Shift Assignments>> CA :: 60.048 CB :: 29.979 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.093 HA :: 4.535 HB2 :: 3.451 HB3 :: 3.113 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 :: 126.835 Ave N Shift Values>> N :: 120.17(4.64) 2.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.732 CB :: 63.856 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.933 HA :: 4.777 HB2 :: 4.129 HB3 :: 3.929 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.696 Ave N Shift Values>> N :: 116.28(3.52) 2.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.31 C 0.18 HN Overlap>> 2.D40 2.D40 C Shift Assignments>> CA :: 59.957 CB :: 40.596 CD1 :: 131.939 CE1 :: 130.799 CZ :: 128.972 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.583 HA :: 4.130 HB2 :: 2.862 HB3 :: 2.522 HD1 :: 6.841 HE1 :: 7.137 HZ :: 7.085 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.992 Ave N Shift Values>> N :: 120.45(4.18) 2.V70 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 :: 61.494 CB :: 33.913 CG1 :: 20.974 CG2 :: 20.787 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 :: 7.688 HA :: 3.891 HB :: 1.720 HG11 :: 0.642 HG12 :: 0.642 HG13 :: 0.642 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 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 :: 128.521 Ave N Shift Values>> N :: 121.14(4.54) 2.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.227 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.698 HA2 :: 4.180 HA3 :: 3.255 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.626 Ave N Shift Values>> N :: 109.67(3.87) 2.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.13 C Shift Assignments>> CA :: 57.843 CB :: 33.392 CG :: 25.307 CD :: 28.759 CE :: 42.297 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 :: 8.934 HA :: 4.339 HB2 :: 1.903 HB3 :: 1.903 HG2 :: 1.632 HG3 :: 1.530 HD2 :: 1.738 HD3 :: 1.738 HE2 :: 3.010 HE3 :: 3.010 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 :: 121.171 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 T 0.18 A 0.03 C Shift Assignments>> CA :: 58.052 CB :: 73.303 CG2 :: 22.117 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 :: 7.071 HA :: 4.461 HB :: 3.925 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 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 :: 103.099 Ave N Shift Values>> N :: 115.42(4.75) 2.W74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.45 C Shift Assignments>> CA :: 59.125 CB :: 30.485 CD1 :: 126.602 CE3 :: 118.420 CZ2 :: 113.048 CZ3 :: 120.848 CH2 :: 121.963 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.983 HA :: 3.904 HB2 :: 3.035 HB3 :: 2.878 HD1 :: 6.453 HE1 :: 9.658 HE3 :: 6.855 HZ2 :: 7.185 HZ3 :: 6.357 HH2 :: 6.170 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 :: 123.043 NE1 :: 129.717 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 67.448 CB :: 68.976 CG2 :: 21.091 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 :: 8.516 HA :: 3.674 HB :: 4.366 HG21 :: 1.396 HG22 :: 1.396 HG23 :: 1.396 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 :: 113.721 Ave N Shift Values>> N :: 115.42(4.75) 2.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.45 R 0.06 C Shift Assignments>> CA :: 57.769 CB :: 41.589 CG :: 27.400 CD1 :: 25.839 CD2 :: 22.440 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 :: 7.835 HA :: 4.148 HB2 :: 1.866 HB3 :: 1.708 HG :: 1.707 HD11 :: 1.119 HD12 :: 1.119 HD13 :: 1.119 HD21 :: 1.003 HD22 :: 1.003 HD23 :: 1.003 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 :: 120.902 Ave N Shift Values>> N :: 121.86(3.9) 2.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 W 0.17 H 0.16 C Shift Assignments>> CA :: 61.308 CD1 :: 133.177 CE1 :: 117.537 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 :: 8.186 HA :: 4.542 HD1 :: 6.588 HE1 :: 6.847 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 :: 123.586 Ave N Shift Values>> N :: 120.52(4.2) 2.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 L 0.22 A 0.04 C Shift Assignments>> CA :: 57.592 CB :: 40.231 CG :: 25.300 CD1 :: 26.399 CD2 :: 21.306 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 :: 8.225 HA :: 3.269 HB2 :: 1.677 HB3 :: 1.033 HG :: 0.600 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 HD21 :: 0.162 HD22 :: 0.162 HD23 :: 0.162 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 :: 119.777 Ave N Shift Values>> N :: 121.86(3.9) 2.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.46 C Shift Assignments>> CA :: 59.258 CB :: 32.529 CG :: 25.248 CD :: 29.548 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 :: 7.887 HA :: 3.942 HB2 :: 1.897 HB3 :: 1.831 HG2 :: 1.561 HG3 :: 1.382 HD2 :: 1.649 HD3 :: 1.649 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 :: 120.078 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.46 C 0.43 H 0.09 C Shift Assignments>> CA :: 59.399 CB :: 27.601 CD2 :: 126.086 CE1 :: 139.569 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 :: 7.476 HA :: 3.981 HB2 :: 2.995 HB3 :: 2.260 HD1 :: 11.832 HD2 :: 6.694 HE1 :: 7.656 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 :: 119.478 ND1 :: 173.991 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.V81 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 :: 67.252 CB :: 31.412 CG1 :: 22.925 CG2 :: 21.975 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 :: 7.981 HA :: 3.068 HB :: 1.789 HG11 :: 0.565 HG12 :: 0.565 HG13 :: 0.565 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.787 Ave N Shift Values>> N :: 121.14(4.54) 2.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.4 C 0.01 C Shift Assignments>> CA :: 54.101 CB :: 18.029 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.420 HA :: 3.985 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.111 Ave N Shift Values>> N :: 123.23(3.54) 2.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.38 M 0.15 Q 0.03 K 0.01 C Shift Assignments>> CA :: 57.843 CB :: 31.182 CG :: 36.248 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.678 HA :: 4.090 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 2.400 HG3 :: 2.195 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.726 Ave N Shift Values>> N :: 120.67(3.48) 2.C84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.24 W 0.19 K 0.13 E 0.11 Q 0.09 H 0.08 R 0.07 V 0.02 M 0.01 C Shift Assignments>> CA :: 59.957 CB :: 28.785 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.018 HA :: 4.248 HB2 :: 2.098 HB3 :: 1.317(S) 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 :: 113.028 Ave N Shift Values>> N :: 120.17(4.64) 2.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.29 H 0.15 C Shift Assignments>> CA :: 53.512 CB :: 28.815 CD2 :: 127.082 CE1 :: 139.465 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 :: 7.745 HA :: 5.069 HB2 :: 3.260 HB3 :: 2.883 HD1 :: 12.741 HD2 :: 6.204 HE1 :: 7.941 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.739 ND1 :: 172.717 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.Q86 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 E 0.1 M 0.07 R 0.02 C Shift Assignments>> CA :: 55.863 CB :: 29.535 CG :: 34.059 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 :: 8.214 HA :: 4.364 HB2 :: 2.127 HB3 :: 1.933 HG2 :: 2.307 HG3 :: 2.307 HE21 :: 7.469 HE22 :: 6.813 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 :: 120.430 NE2 :: 112.982 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.2 D 0.18 R 0.11 F 0.09 Y 0.06 C 0.05 N 0.01 HN Overlap>> 2.C67 2.K62 2.C67 2.K62 C Shift Assignments>> CA :: 55.513 CB :: 42.142 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 :: 8.103 HA :: 4.374 HB2 :: 2.670 HB3 :: 2.543 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 :: 126.936 Ave N Shift Values>> N :: 120.65(3.86) 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 83 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 87 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 87 #Suspicious: 0 C Shift Results: #Consistent: 297 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 578 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 2.K15 HD2 = 0.871(S), Expected = 1.61, Std = 0.2200, ChiSquare = 7.8199e-04 2.K15 HD3 = 0.522(S), Expected = 1.60, Std = 0.2200, ChiSquare = 9.5837e-07 2.H16 H = 10.495(S), Expected = 8.24, Std = 0.6800, ChiSquare = 9.1258e-04 2.K63 HB3 = 0.825(S), Expected = 1.74, Std = 0.2700, ChiSquare = 7.0176e-04 2.C84 HB3 = 1.317(S), Expected = 2.89, Std = 0.4600, ChiSquare = 6.2721e-04