Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 178.090 CA :: 46.708 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.522 HA3 :: 3.522 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.22 P 0.18 T 0.17 I 0.12 C Shift Assignments>> C :: 178.882 CB :: 64.695 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.959 HB2 :: 3.562 HB3 :: 3.508 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 :: 121.553 Ave N Shift Values>> N :: 116.28(3.52) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.21 F 0.13 Y 0.09 R 0.04 N 0.03 HN Overlap>> 1.K116 1.V84 1.K116 1.V84 C Shift Assignments>> C :: 177.143 CA :: 55.760 CB :: 41.591 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 :: 8.247 HA :: 4.227 HB2 :: 2.369 HB3 :: 2.283 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 :: 122.742 Ave N Shift Values>> N :: 120.65(3.86) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.19 I 0.08 K 0.01 Q 0.01 C Shift Assignments>> C :: 176.889 CA :: 57.764 CB :: 31.140 CG :: 37.243 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 :: 7.881 HA :: 3.919 HB2 :: 1.708 HB3 :: 1.587 HG2 :: 1.892 HG3 :: 1.892 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 :: 120.628 Ave N Shift Values>> N :: 120.67(3.48) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 M 0.2 I 0.05 K 0.02 Q 0.01 HN Overlap>> 1.A89 1.A92 1.A89 1.A92 C Shift Assignments>> C :: 176.886 CA :: 57.218 CB :: 30.941 CG :: 36.994 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 :: 7.893 HA :: 3.982 HB2 :: 1.704 HB3 :: 1.588 HG2 :: 1.928 HG3 :: 1.870 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.471 Ave N Shift Values>> N :: 120.67(3.48) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.614 CA :: 63.175 CB :: 33.819 CG1 :: 22.142 CG2 :: 21.192 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 :: 7.733 HA :: 3.819 HB :: 1.780 HG11 :: 0.623 HG12 :: 0.623 HG13 :: 0.623 HG21 :: 0.613 HG22 :: 0.613 HG23 :: 0.613 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 :: 121.391 Ave N Shift Values>> N :: 121.14(4.54) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.24 K 0.19 F 0.1 Y 0.07 R 0.05 N 0.04 C Shift Assignments>> C :: 177.678 CA :: 55.082 CB :: 41.712 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 :: 8.081 HA :: 4.323 HB2 :: 2.386 HB3 :: 2.333 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 :: 124.138 Ave N Shift Values>> N :: 120.65(3.86) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 179.782 CA :: 59.145 CB :: 65.291 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.606 HA :: 4.177 HB2 :: 3.436 HB3 :: 3.397 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 :: 116.590 Ave N Shift Values>> N :: 116.28(3.52) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 179.150 CA :: 60.713 CB :: 35.705 CG1 :: 22.509 CG2 :: 19.936 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.107 HA :: 4.346 HB :: 1.889 HG11 :: 0.724 HG12 :: 0.724 HG13 :: 0.724 HG21 :: 0.684 HG22 :: 0.684 HG23 :: 0.684 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 :: 121.072 Ave N Shift Values>> N :: 121.14(4.54) 1.L10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.65 R 0.28 A 0.03 G 0.02 C Shift Assignments>> C :: 175.551 CA :: 55.461 CB :: 42.537 CG :: 27.292 CD1 :: 26.779 CD2 :: 23.063 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 :: 7.877 HA :: 3.222 HB2 :: 1.161 HB3 :: 0.370 HG :: 0.512 HD11 :: 0.341 HD12 :: 0.341 HD13 :: 0.341 HD21 :: -0.241(S) HD22 :: -0.241(S) HD23 :: -0.241(S) 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 :: 124.358 Ave N Shift Values>> N :: 121.86(3.9) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 F 0.49 C Shift Assignments>> C :: 177.111 CA :: 55.697 CB :: 38.649 CD1 :: 131.378 CD2 :: 129.694 CE1 :: 128.204 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 :: 8.863 HA :: 4.628 HB2 :: 2.774 HB3 :: 2.534 HD1 :: 6.802 HD2 :: 7.228 HE1 :: 6.421 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 :: 127.861 Ave N Shift Values>> N :: 120.45(4.18) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 170.891 CA :: 45.205 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.783 HA2 :: 4.272 HA3 :: 3.439 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.234 Ave N Shift Values>> N :: 109.67(3.87) 1.S13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 S 0.08 C Shift Assignments>> C :: 181.522(S) CA :: 57.826 CB :: 68.082 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.529 HA :: 5.418 HB2 :: 3.378 HB3 :: 3.267 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 :: 115.335 Ave N Shift Values>> N :: 116.28(3.52) 1.L14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.49 G 0.46 A 0.03 C Shift Assignments>> C :: 178.806 CA :: 55.141 CB :: 48.540(S) CG :: 27.299 CD2 :: 25.368 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 :: 8.621 HA :: 4.335 HB2 :: 1.430 HB3 :: 1.127 HG :: 0.327(S) HD21 :: 0.549 HD22 :: 0.549 HD23 :: 0.549 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 :: 121.002 Ave N Shift Values>> N :: 121.86(3.9) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.21 K 0.12 C Shift Assignments>> C :: 177.593 CA :: 55.706 CB :: 31.545 CG :: 28.282 CD :: 43.811 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 :: 8.280 HA :: 4.731 HB2 :: 1.622 HB3 :: 1.519 HG2 :: 1.220 HG3 :: 1.175 HD2 :: 2.898 HD3 :: 2.852 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.228 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.G16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 180.729(S) CA :: 45.570 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.474 HA2 :: 4.287 HA3 :: 3.069 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.391 Ave N Shift Values>> N :: 109.67(3.87) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 M 0.17 K 0.13 Q 0.12 Y 0.07 I 0.04 V 0.03 F 0.03 H 0.01 R 0.01 W 0.01 C Shift Assignments>> C :: 179.755 CA :: 57.869 CB :: 35.369 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 :: 6.777 HA :: 4.983 HB2 :: 2.611 HB3 :: 2.363 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 :: 117.433 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.392 CB :: 33.106 CG1 :: 22.414 CG2 :: 24.032 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.244 HA :: 4.074 HB :: 1.796 HG11 :: 0.485 HG12 :: 0.485 HG13 :: 0.485 HG21 :: 0.505 HG22 :: 0.505 HG23 :: 0.505 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 :: 124.089 Ave N Shift Values>> N :: 121.14(4.54) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.92 I 0.06 A 0.01 C Shift Assignments>> CA :: 60.068 CB :: 35.803 CG1 :: 22.555 CG2 :: 19.011 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 4.964 HB :: 2.355 HG11 :: 0.775 HG12 :: 0.775 HG13 :: 0.775 HG21 :: 0.775 HG22 :: 0.775 HG23 :: 0.775 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 179.591 CA :: 46.142 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.632 HA3 :: 3.632 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 R 0.26 G 0.08 HN Overlap>> 1.A92 1.V27 1.A92 1.V27 C Shift Assignments>> C :: 176.298 CA :: 56.004 CB :: 43.281 CG :: 27.760 CD1 :: 25.714 CD2 :: 24.368 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 :: 7.733 HA :: 4.026 HB2 :: 1.267 HB3 :: 1.220 HG :: 1.226 HD11 :: 0.565 HD12 :: 0.565 HD13 :: 0.565 HD21 :: 0.514 HD22 :: 0.514 HD23 :: 0.514 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.544 Ave N Shift Values>> N :: 121.86(3.9) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.44 K 0.13 Q 0.09 M 0.07 W 0.06 P 0.04 R 0.04 H 0.03 I 0.02 E 0.01 Y 0.01 C Shift Assignments>> CA :: 60.662 CB :: 33.603 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 :: 7.742 HA :: 4.078 HB2 :: 1.729 HB3 :: 1.729 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 :: 123.705 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.Y23 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.17 H 0.16 W 0.15 E 0.14 M 0.12 Q 0.11 K 0.1 V 0.01 C Shift Assignments>> CA :: 56.774 CB :: 30.965(S) 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>> HA :: 4.273 HB2 :: 2.756 HB3 :: 2.756 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) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.12 Y 0.12 W 0.11 E 0.09 S 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 177.629 CA :: 57.960 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>> HA :: 4.532 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) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.196 CA :: 61.860 CB :: 70.826 CG2 :: 22.459 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 :: 8.286 HA :: 4.346 HB :: 4.186 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 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 :: 108.151 Ave N Shift Values>> N :: 115.42(4.75) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 A 0.01 C Shift Assignments>> C :: 176.403 CA :: 47.087 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.524 HA2 :: 3.615 HA3 :: 2.791 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.582 Ave N Shift Values>> N :: 109.67(3.87) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> C :: 177.411 CA :: 61.916 CB :: 35.308 CG1 :: 22.202 CG2 :: 21.026 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 :: 7.638 HA :: 4.109 HB :: 1.660 HG11 :: 0.532 HG12 :: 0.532 HG13 :: 0.532 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 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 :: 122.582 Ave N Shift Values>> N :: 121.14(4.54) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 180.017 CA :: 61.338 CB :: 36.390 CG1 :: 22.833 CG2 :: 22.825 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 :: 8.347 HA :: 4.041 HB :: 1.537 HG11 :: 0.593 HG12 :: 0.593 HG13 :: 0.593 HG21 :: 0.535 HG22 :: 0.535 HG23 :: 0.535 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 :: 124.187 Ave N Shift Values>> N :: 121.14(4.54) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.27 N 0.1 K 0.09 R 0.06 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 179.706 CA :: 52.258 CB :: 42.030 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 :: 7.565 HA :: 4.515 HB2 :: 2.361 HB3 :: 2.067 HD21 :: 6.466 HD22 :: 7.674 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 :: 122.162 ND2 :: 116.655 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 N 0.17 D 0.17 L 0.08 I 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 177.084 CA :: 55.862 CB :: 39.041 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 :: 8.022 HA :: 3.777 HB2 :: 2.245 HB3 :: 2.245 HD21 :: 6.613 HD22 :: 7.182 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 :: 117.295 ND2 :: 112.254 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 N 0.2 D 0.11 E 0.05 L 0.05 I 0.04 M 0.02 C Shift Assignments>> C :: 179.796 CA :: 55.864 CB :: 38.400 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 :: 8.602 HA :: 3.829 HB2 :: 2.703 HB3 :: 2.475 HD21 :: 6.384 HD22 :: 7.169 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 :: 117.560 ND2 :: 112.817 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 E 0.36 K 0.03 I 0.02 C Shift Assignments>> C :: 178.208 CA :: 56.925 CB :: 33.586 CG :: 38.800 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 :: 7.187 HA :: 4.052 HB2 :: 1.811 HB3 :: 1.617 HG2 :: 2.153 HG3 :: 1.925 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 :: 120.046 Ave N Shift Values>> N :: 120.67(3.48) 1.M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.82 A 0.17 C Shift Assignments>> C :: 178.123 CA :: 56.549 CB :: 34.461 CG :: 32.906 CE :: 17.832 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.824 HA :: 4.623 HB2 :: 1.750 HB3 :: 1.713 HG2 :: 2.335 HG3 :: 2.288 HE1 :: 1.725 HE2 :: 1.725 HE3 :: 1.725 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.992 Ave N Shift Values>> N :: 120.09(3.57) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 I 0.06 A 0.01 C Shift Assignments>> C :: 179.442 CA :: 59.754 CB :: 34.831 CG1 :: 23.451 CG2 :: 19.365 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 :: 7.359 HA :: 4.256 HB :: 1.791 HG11 :: 0.349 HG12 :: 0.349 HG13 :: 0.349 HG21 :: 0.070 HG22 :: 0.070 HG23 :: 0.070 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 :: 112.575 Ave N Shift Values>> N :: 121.14(4.54) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.43 K 0.03 C Shift Assignments>> C :: 177.558 CA :: 51.358 CB :: 22.751 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.542 HA :: 4.400 HB1 :: 0.876 HB2 :: 0.876 HB3 :: 0.876 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.069 Ave N Shift Values>> N :: 123.23(3.54) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 L 0.32 G 0.09 C Shift Assignments>> C :: 176.616 CA :: 54.443 CB :: 43.044 CG :: 29.038 CD1 :: 25.830 CD2 :: 25.639 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 :: 8.087 HA :: 4.693 HB2 :: 0.752 HB3 :: 0.752 HG :: 1.192 HD11 :: 0.307 HD12 :: 0.307 HD13 :: 0.307 HD21 :: 0.299 HD22 :: 0.299 HD23 :: 0.299 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.994 Ave N Shift Values>> N :: 121.86(3.9) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 Q 0.12 E 0.06 C Shift Assignments>> C :: 178.226 CA :: 54.997 CB :: 33.793 CG :: 34.189 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 :: 8.457 HA :: 4.346 HB2 :: 1.516 HB3 :: 1.271 HG2 :: 2.015 HG3 :: 1.834 HE21 :: 7.134 HE22 :: 6.459 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 :: 124.367 NE2 :: 112.425 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 R 0.45 K 0.03 C Shift Assignments>> CA :: 58.278 CB :: 32.536 CG :: 28.034 CD :: 44.393 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 :: 9.114 HA :: 3.833 HB2 :: 1.504 HB3 :: 1.381 HG2 :: 1.298 HG3 :: 1.298 HD2 :: 2.863 HD3 :: 2.863 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 :: 130.110 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.D39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.801 CA :: 64.237 CB :: 33.162 CG :: 27.803 CD :: 51.308 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 :: 4.580 HB2 :: 2.047 HB3 :: 1.734 HG2 :: .642(S) HG3 :: 1.570 HD2 :: 3.567 HD3 :: 2.998 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.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.3 L 0.1 F 0.08 Y 0.07 C Shift Assignments>> C :: 178.962 CA :: 53.225 CB :: 39.739 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 :: 7.529 HA :: 4.443 HB2 :: 2.597 HB3 :: 2.349 HD21 :: 7.367 HD22 :: 6.640 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 :: 116.135 ND2 :: 114.888 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.28 L 0.15 F 0.09 Y 0.07 K 0.01 C Shift Assignments>> CA :: 53.607 CB :: 40.260 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 :: 7.050 HA :: 4.295 HB2 :: 2.871 HB3 :: 2.841 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 :: 124.902 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.971 CA :: 64.739 CB :: 32.301 CG :: 27.505 CD :: 51.627 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 :: 3.699 HB2 :: 0.769(S) HB3 :: 0.769(S) HG2 :: 1.448 HG3 :: 1.448 HD2 :: 3.593 HD3 :: 3.109 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.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 H 0.3 W 0.2 C Shift Assignments>> C :: 177.313 CA :: 59.326 CD1 :: 132.068 CE1 :: 117.982 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 :: 7.736 HA :: 3.686 HD1 :: 6.245 HD2 :: 6.245 HE1 :: 6.319 HE2 :: 6.319 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.278 Ave N Shift Values>> N :: 120.52(4.2) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.29 D 0.14 K 0.07 F 0.05 G 0.04 Y 0.03 C Shift Assignments>> C :: 178.107 CA :: 54.841 CB :: 43.213 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 :: 6.877 HA :: 4.156 HB2 :: 2.446 HB3 :: 2.129 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 :: 118.049 Ave N Shift Values>> N :: 120.65(3.86) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.29 G 0.07 C Shift Assignments>> C :: 175.952 CA :: 59.082 CB :: 32.401 CG :: 24.840 CD :: 30.030 CE :: 42.955 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 :: 8.437 HA :: 3.944 HB2 :: 1.594 HB3 :: 1.594 HG2 :: 1.194 HG3 :: 1.037 HD2 :: 1.376 HD3 :: 1.376 HE2 :: 2.678 HE3 :: 2.678 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.783 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.24 F 0.12 Y 0.12 L 0.08 C Shift Assignments>> C :: 181.502(S) CA :: 54.086 CB :: 39.198 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 :: 7.942 HA :: 4.048 HB2 :: 2.682 HB3 :: 2.442 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.099 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 L 0.25 M 0.05 V 0.03 T 0.01 C Shift Assignments>> CA :: 54.669 CB :: 20.951 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.747 HA :: 3.383 HB1 :: 1.331 HB2 :: 1.331 HB3 :: 1.331 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.585 Ave N Shift Values>> N :: 123.23(3.54) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.51 V 0.43 I 0.04 C Shift Assignments>> CA :: 62.645 CB :: 42.903 CG1 :: 29.507 CG2 :: 19.746 CD1 :: 18.052 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>> HA :: 4.005 HB :: 1.139 HG12 :: 1.985 HG13 :: 1.985 HG21 :: 0.373 HG22 :: 0.373 HG23 :: 0.373 HD11 :: 0.485 HD12 :: 0.485 HD13 :: 0.485 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) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.81 R 0.12 G 0.05 C Shift Assignments>> C :: 178.312 CA :: 57.522 CB :: 35.315 CE :: 42.492 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 3.845 HB2 :: 1.151 HB3 :: 1.151 HE2 :: 2.542 HE3 :: 2.542 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.498 CA :: 61.877 CB :: 33.349 CG1 :: 21.826 CG2 :: 21.283 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 :: 7.336 HA :: 4.167 HB :: 0.997 HG11 :: 0.331 HG12 :: 0.331 HG13 :: 0.331 HG21 :: 0.237 HG22 :: 0.237 HG23 :: 0.237 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 :: 120.743 Ave N Shift Values>> N :: 121.14(4.54) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.26 N 0.12 K 0.07 R 0.06 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 178.549 CA :: 51.442 CB :: 42.159 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 :: 8.961 HA :: 5.080 HB2 :: 2.182 HB3 :: 1.960 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 :: 127.190 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.32 L 0.09 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.452 CA :: 51.906 CB :: 40.036 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 :: 8.251 HA :: 4.559 HB2 :: 3.549 HB3 :: 2.206 HD21 :: 6.781 HD22 :: 8.040 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.137 ND2 :: 112.795 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.338 CA :: 65.717 CB :: 32.628 CG1 :: 21.776 CG2 :: 20.587 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 :: 8.800 HA :: 3.520 HB :: 1.926 HG11 :: 0.661 HG12 :: 0.661 HG13 :: 0.661 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.107 Ave N Shift Values>> N :: 121.14(4.54) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.24 L 0.15 F 0.12 Y 0.1 K 0.01 C Shift Assignments>> C :: 178.127 CA :: 54.232 CB :: 40.129 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 :: 7.100 HA :: 4.498 HB2 :: 2.651 HB3 :: 2.288 HD21 :: 7.174 HD22 :: 6.583 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 :: 117.849 ND2 :: 113.790 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 179.925 CA :: 46.063 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.845 HA2 :: 3.932 HA3 :: 3.162 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.087 Ave N Shift Values>> N :: 109.67(3.87) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.3 L 0.15 F 0.07 Y 0.05 K 0.02 C Shift Assignments>> C :: 178.561 CA :: 52.933 CB :: 40.475 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 :: 7.642 HA :: 4.446 HB2 :: 2.436 HB3 :: 2.206 HD21 :: 6.688 HD22 :: 7.166 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 :: 120.056 ND2 :: 112.653 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.15 Y 0.12 F 0.12 W 0.1 E 0.07 K 0.06 I 0.05 R 0.05 H 0.04 Q 0.04 V 0.03 T 0.03 M 0.03 L 0.01 HN Overlap>> 1.M99 1.M99 C Shift Assignments>> CA :: 59.015 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 :: 8.627 HA :: 4.363 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 :: 127.499 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> C :: 178.681 CA :: 63.049 CB :: 35.009 CG1 :: 21.891 CG2 :: 21.891 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 3.619 HB :: 1.230 HG11 :: 0.416 HG12 :: 0.416 HG13 :: 0.416 HG21 :: 0.323 HG22 :: 0.323 HG23 :: 0.323 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.G60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 180.180(S) CA :: 46.727 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.503 HA2 :: 3.789 HA3 :: 3.762 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.693 Ave N Shift Values>> N :: 109.67(3.87) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.12 Y 0.12 W 0.11 S 0.09 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.057 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 :: 8.940 HA :: 5.093 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 :: 124.330 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.56 G 0.26 R 0.16 C Shift Assignments>> CA :: 56.960 CB :: 44.163 CG :: 27.564 CD1 :: 25.818 CD2 :: 24.569 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>> HA :: 3.921 HB2 :: 1.099 HB3 :: 1.043 HG :: 0.937 HD11 :: -0.032 HD12 :: -0.032 HD13 :: -0.032 HD21 :: -0.164 HD22 :: -0.164 HD23 :: -0.164 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.82 K 0.11 G 0.06 C Shift Assignments>> CA :: 58.545 CB :: 35.061 CG :: 26.209 CD :: 31.055 CE :: 42.915 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 3.942 HB2 :: 1.525 HB3 :: 1.525 HG2 :: 1.498 HG3 :: 1.623 HD2 :: 1.591 HD3 :: 1.508 HE2 :: 2.839 HE3 :: 2.793 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.43 R 0.32 K 0.23 C Shift Assignments>> C :: 174.593 CA :: 62.261 CB :: 33.062 CG :: 25.203 CD :: 30.661 CE :: 43.161 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 3.666 HB2 :: 1.860 HB3 :: 1.569 HG2 :: 1.284 HG3 :: 1.114 HD2 :: 1.576 HD3 :: 1.464 HE2 :: 2.766 HE3 :: 2.694 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 E 0.05 C Shift Assignments>> C :: 174.030 CA :: 61.828 CB :: 29.507 CG :: 38.224 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.541 HA :: 3.913 HB2 :: 1.991 HB3 :: 1.957 HG2 :: 2.389 HG3 :: 2.147 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.402 Ave N Shift Values>> N :: 120.67(3.48) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 K 0.33 G 0.04 R 0.02 C Shift Assignments>> C :: 174.455 CA :: 57.459 CB :: 42.849 CG :: 27.682 CD2 :: 23.943 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 :: 7.001 HA :: 3.844 HB2 :: 1.486 HB3 :: 1.376 HG :: 0.522 HD21 :: 0.097 HD22 :: 0.097 HD23 :: 0.097 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 :: 120.580 Ave N Shift Values>> N :: 121.86(3.9) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 I 0.17 A 0.14 V 0.02 HN Overlap>> 1.I81 1.I81 C Shift Assignments>> C :: 174.851 CA :: 56.916 CB :: 18.377 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.187 HA :: 3.576 HB1 :: 1.156 HB2 :: 1.156 HB3 :: 1.156 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.960 Ave N Shift Values>> N :: 123.23(3.54) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 P 0.06 A 0.05 L 0.04 N 0.01 C Shift Assignments>> C :: 178.501 CA :: 47.656 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.847 HA2 :: 3.413 HA3 :: 3.325 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.790 Ave N Shift Values>> N :: 109.67(3.87) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.31 M 0.02 V 0.01 C Shift Assignments>> C :: 174.964 CA :: 53.780 CB :: 21.389 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.712 HA :: 3.353 HB1 :: 1.032 HB2 :: 1.032 HB3 :: 1.032 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.732 Ave N Shift Values>> N :: 123.23(3.54) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 L 0.17 G 0.14 C Shift Assignments>> C :: 174.274 CA :: 57.950 CB :: 43.381 CG :: 29.170 CD1 :: 25.845 CD2 :: 25.661 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 :: 7.730 HA :: 3.702 HB2 :: 1.127 HB3 :: 1.001 HG :: 1.400 HD11 :: 0.403 HD12 :: 0.403 HD13 :: 0.403 HD21 :: 0.432 HD22 :: 0.432 HD23 :: 0.432 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 :: 115.680 Ave N Shift Values>> N :: 121.86(3.9) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 I 0.47 V 0.01 A 0.01 C Shift Assignments>> C :: 175.061 CA :: 58.556 CB :: 17.322 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.655 HA :: 3.401 HB1 :: 1.173 HB2 :: 1.173 HB3 :: 1.173 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.264 Ave N Shift Values>> N :: 123.23(3.54) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.705 CA :: 62.445 CB :: 41.220 CD1 :: 132.647 CE1 :: 118.587 CE2 :: 118.679 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 :: 7.802 HA :: 3.812 HB2 :: 2.973 HB3 :: 2.313 HD1 :: 6.526 HE1 :: 6.508 HE2 :: 6.416 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 :: 117.283 Ave N Shift Values>> N :: 120.52(4.2) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.419 CA :: 65.716 CB :: 39.311 CG1 :: 30.942 CG2 :: 19.603 CD1 :: 15.214 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 :: 6.680 HA :: 3.221 HB :: 1.968 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.461 Ave N Shift Values>> N :: 121.46(4.28) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 M 0.4 V 0.17 C Shift Assignments>> C :: 173.082 CA :: 60.472 CB :: 34.512 CE :: 17.788 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.844 HA :: 3.928 HB2 :: 2.076 HB3 :: 2.076 HE1 :: 1.681 HE2 :: 1.681 HE3 :: 1.681 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.782 Ave N Shift Values>> N :: 120.09(3.57) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.32 I 0.11 L 0.09 D 0.07 K 0.03 N 0.01 HN Overlap>> 1.D113 1.D113 C Shift Assignments>> C :: 176.032 CA :: 58.130 CB :: 40.183 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 :: 8.945 HA :: 4.036 HB2 :: 2.288 HB3 :: 2.288 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 :: 122.688 Ave N Shift Values>> N :: 120.65(3.86) 1.N76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.28 F 0.13 Y 0.12 L 0.11 C Shift Assignments>> C :: 181.188(S) CA :: 54.253 CB :: 39.558 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 :: 6.832 HA :: 4.366 HB2 :: 2.308 HB3 :: 1.719 HD21 :: 5.965 HD22 :: 6.494 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.207 ND2 :: 117.114 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.22 G 0.08 HN Overlap>> 1.L97 1.L97 C Shift Assignments>> C :: 177.049 CA :: 58.054 CB :: 30.106 CG :: 25.885 CD :: 29.899 CE :: 43.144 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 :: 7.445 HA :: 3.644 HB2 :: 1.420 HB3 :: 1.345 HG2 :: 1.054 HG3 :: 1.054 HD2 :: 1.615 HD3 :: 1.615 HE2 :: 2.701 HE3 :: 2.701 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 :: 117.474 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.23 R 0.12 A 0.01 C Shift Assignments>> C :: 176.535 CA :: 57.024 CB :: 44.989 CG :: 28.029 CD1 :: 26.897 CD2 :: 22.798 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 :: 8.100 HA :: 3.893 HB2 :: 1.318 HB3 :: 1.228 HG :: 1.085 HD11 :: 0.553 HD12 :: 0.553 HD13 :: 0.553 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 :: 116.609 Ave N Shift Values>> N :: 121.86(3.9) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 A 0.17 K 0.1 HN Overlap>> 1.H118 1.H118 C Shift Assignments>> C :: 177.870 CA :: 51.936 CB :: 23.360 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.966 HA :: 4.565 HB1 :: 1.082 HB2 :: 1.082 HB3 :: 1.082 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.304 Ave N Shift Values>> N :: 123.23(3.54) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 E 0.32 Q 0.25 K 0.07 C Shift Assignments>> C :: 178.649 CA :: 56.148 CB :: 31.046 CG :: 34.971 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 :: 9.272 HA :: 4.199 HB2 :: 1.709 HB3 :: 1.591 HG2 :: 1.991 HG3 :: 1.944 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.289 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A67 1.A67 C Shift Assignments>> C :: 177.852 CA :: 61.104 CB :: 40.530 CG1 :: 27.585 CG2 :: 18.648 CD1 :: 15.504 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 :: 8.222 HA :: 4.403 HB :: 1.096 HG12 :: 0.935 HG13 :: 0.935 HG21 :: -0.182(S) HG22 :: -0.182(S) HG23 :: -0.182(S) HD11 :: 0.308 HD12 :: 0.308 HD13 :: 0.308 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 :: 125.022 Ave N Shift Values>> N :: 121.46(4.28) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 E 0.4 C Shift Assignments>> C :: 177.585 CA :: 55.013 CB :: 33.208 CG :: 37.080 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 :: 8.518 HA :: 4.469 HB2 :: 1.727 HB3 :: 1.727 HG2 :: 1.894 HG3 :: 1.809 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 :: 127.906 Ave N Shift Values>> N :: 120.67(3.48) 1.G83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 182.305(S) CA :: 45.493 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.799 HA2 :: 4.892 HA3 :: 2.670(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.037 Ave N Shift Values>> N :: 109.67(3.87) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 L 0.02 HN Overlap>> 1.K116 1.K116 1.D3 1.D3 C Shift Assignments>> C :: 179.190 CA :: 60.787 CB :: 37.564 CG1 :: 22.407 CG2 :: 21.572 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 :: 8.206 HA :: 4.450 HB :: 1.549 HG11 :: 0.473 HG12 :: 0.473 HG13 :: 0.473 HG21 :: 0.412 HG22 :: 0.412 HG23 :: 0.412 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 :: 122.756 Ave N Shift Values>> N :: 121.14(4.54) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.48 V 0.47 L 0.02 C Shift Assignments>> CA :: 60.264 CG1 :: 21.621 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 :: 7.819 HA :: 4.279 HG11 :: 0.596 HG12 :: 0.596 HG13 :: 0.596 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 :: 129.241 Ave N Shift Values>> N :: 121.14(4.54) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.64 P 0.33 C Shift Assignments>> C :: 177.816 CA :: 64.797 CB :: 33.057 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 :: 4.017 HB2 :: 1.458 HB3 :: 1.458 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.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.48 C Shift Assignments>> CA :: 57.128 CB :: 40.105 CD1 :: 132.197 CE1 :: 129.815 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 :: 6.978 HA :: 4.225 HB2 :: 2.973 HB3 :: 2.716 HD1 :: 6.781 HD2 :: 6.781 HE1 :: 6.985 HE2 :: 6.985 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 :: 115.096 Ave N Shift Values>> N :: 120.45(4.18) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 178.578 CA :: 46.724 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.567 HA3 :: 3.523 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.19 L 0.02 V 0.01 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> C :: 176.085 CA :: 54.444 CB :: 19.644 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.946 HA :: 3.863 HB1 :: 0.935 HB2 :: 0.935 HB3 :: 0.935 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.534 Ave N Shift Values>> N :: 123.23(3.54) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.25 F 0.09 Y 0.09 L 0.08 C Shift Assignments>> C :: 178.440 CA :: 53.615 CB :: 39.245 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 :: 7.876 HA :: 4.403 HB2 :: 2.514 HB3 :: 2.514 HD21 :: 7.272 HD22 :: 6.617 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 :: 115.100 ND2 :: 113.750 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.18 F 0.12 Y 0.1 K 0.03 C Shift Assignments>> C :: 178.929 CA :: 54.341 CB :: 40.406 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 :: 7.726 HA :: 4.160 HB2 :: 2.738 HB3 :: 2.547 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 :: 121.220 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.09 M 0.08 V 0.01 HN Overlap>> 1.L21 1.L21 1.E5 1.E5 C Shift Assignments>> CA :: 54.091 CB :: 20.441 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.805 HA :: 3.672 HB1 :: 0.584 HB2 :: 0.584 HB3 :: 0.584 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.500 Ave N Shift Values>> N :: 123.23(3.54) 1.F93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 181.231(S) CA :: 60.811 CB :: 72.946 CG2 :: 22.593 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>> HA :: 4.966 HB :: 3.859 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 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) 1.M95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.581 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 :: 122.739 Ave N Shift Values>> N :: 120.09(3.57) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.67 P 0.25 I 0.02 W 0.01 C Shift Assignments>> C :: 179.583 CA :: 63.506 CB :: 33.633 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 :: 4.281 HB2 :: 1.784 HB3 :: 1.784 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.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.11 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 178.839 CA :: 54.239 CB :: 47.230 CG :: 28.587 CD1 :: 27.193 CD2 :: 25.719 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 :: 7.379 HA :: 4.370 HB2 :: 0.877 HB3 :: 0.816 HG :: 0.832 HD11 :: 0.278 HD12 :: 0.278 HD13 :: 0.278 HD21 :: 0.237 HD22 :: 0.237 HD23 :: 0.237 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 :: 117.560 Ave N Shift Values>> N :: 121.86(3.9) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 M 0.22 Q 0.16 R 0.11 H 0.1 W 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 178.304 CA :: 56.532 CB :: 32.855 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 :: 8.984 HA :: 4.695 HB2 :: 2.890 HB3 :: 2.470 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 :: 128.425 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.47 I 0.03 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> C :: 178.663 CA :: 55.119 CE :: 18.525 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 :: 8.571 HA :: 5.111 HE1 :: 1.411 HE2 :: 1.411 HE3 :: 1.411 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 :: 127.451 Ave N Shift Values>> N :: 120.09(3.57) 1.T100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 181.000(S) CA :: 61.935 CB :: 71.497 CG2 :: 23.627 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 :: 8.535 HA :: 4.429 HB :: 3.552 HG21 :: 0.620 HG22 :: 0.620 HG23 :: 0.620 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.394 Ave N Shift Values>> N :: 115.42(4.75) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.25 F 0.1 K 0.08 Y 0.06 D 0.05 G 0.05 C Shift Assignments>> C :: 179.673 CA :: 57.264 CB :: 43.314 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 :: 8.036 HA :: 4.766 HB2 :: 2.744 HB3 :: 2.241 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 :: 123.479 Ave N Shift Values>> N :: 120.45(4.18) 1.W102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 178.095 CA :: 55.806 CB :: 33.733 CZ2 :: 114.683 CZ3 :: 122.127 CH2 :: 124.303 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 :: 8.684 HA :: 4.738 HB2 :: 2.639 HB3 :: 2.468 HE1 :: 9.713 HE3 :: 6.474 HZ2 :: 7.094 HZ3 :: 6.667 HH2 :: 6.834 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 :: 124.715 NE1 :: 130.176 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 181.937(S) CA :: 47.435 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.032 HA2 :: 3.866 HA3 :: 3.691 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.996 Ave N Shift Values>> N :: 109.67(3.87) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.34 G 0.05 C Shift Assignments>> C :: 174.722 CA :: 55.940 CB :: 34.494 CG :: 25.836 CD :: 30.039 CE :: 42.996 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 :: 8.783 HA :: 4.409 HB2 :: 1.837 HB3 :: 1.435 HG2 :: 1.279 HG3 :: 1.279 HD2 :: 1.371 HD3 :: 1.371 HE2 :: 2.700 HE3 :: 2.700 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 :: 121.134 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.29 M 0.07 Q 0.05 K 0.04 C Shift Assignments>> C :: 174.970 CA :: 61.057 CB :: 30.593 CG :: 35.903 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.089 HA :: 3.728 HB2 :: 2.002 HB3 :: 1.703 HG2 :: 2.161 HG3 :: 1.953 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.261 Ave N Shift Values>> N :: 120.67(3.48) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.28 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 176.497 CA :: 59.623 CB :: 29.859 CG :: 36.569 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.035 HA :: 3.942 HB2 :: 1.817 HB3 :: 1.742 HG2 :: 1.891 HG3 :: 1.891 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 :: 116.126 Ave N Shift Values>> N :: 120.67(3.48) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.12 K 0.1 F 0.09 Y 0.06 R 0.01 C Shift Assignments>> C :: 179.188 CA :: 53.994 CB :: 41.180 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 :: 8.021 HA :: 4.859 HB2 :: 2.960 HB3 :: 2.784 HD21 :: 7.017 HD22 :: 8.131 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.015 ND2 :: 114.561 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R108 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 R 0.19 C Shift Assignments>> C :: 175.016 CA :: 61.323 CB :: 32.223 CG :: 27.957 CD :: 44.464 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 :: 7.429 HA :: 1.930(S) HB2 :: 1.312 HB3 :: 1.261 HG2 :: 0.723 HG3 :: 0.533(S) HD2 :: 3.004 HD3 :: 2.655 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 :: 123.975 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.37 G 0.12 C Shift Assignments>> C :: 175.837 CA :: 60.282 CB :: 32.560 CG :: 25.762 CD :: 29.937 CE :: 43.137 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 :: 8.264 HA :: 3.551 HB2 :: 1.496 HB3 :: 1.411 HG2 :: 1.020 HG3 :: 1.020 HD2 :: 1.374 HD3 :: 1.275 HE2 :: 2.684 HE3 :: 2.684 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 :: 120.813 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.37 V 0.04 I 0.04 L 0.03 T 0.01 C Shift Assignments>> C :: 171.737 CA :: 55.767 CB :: 19.514 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.850 HA :: 3.829 HB1 :: 1.230 HB2 :: 1.230 HB3 :: 1.230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.231 Ave N Shift Values>> N :: 123.23(3.54) 1.V111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 C Shift Assignments>> C :: 176.546 CA :: 68.162 CB :: 32.262 CG1 :: 21.695 CG2 :: 26.986(S) 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 :: 7.386 HA :: 3.032 HB :: 1.518 HG11 :: 0.320 HG12 :: 0.320 HG13 :: 0.320 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.907 Ave N Shift Values>> N :: 121.14(4.54) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.25 P 0.23 V 0.19 T 0.16 I 0.12 C Shift Assignments>> C :: 175.795 CB :: 63.611 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.766 HB2 :: 3.556 HB3 :: 3.556 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 :: 115.833 Ave N Shift Values>> N :: 116.28(3.52) 1.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.25 K 0.13 L 0.12 D 0.07 I 0.07 HN Overlap>> 1.D75 1.D75 C Shift Assignments>> C :: 174.634 CA :: 58.127 CB :: 40.879 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 :: 8.991 HA :: 4.034 HB2 :: 2.458 HB3 :: 2.218 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 :: 122.732 Ave N Shift Values>> N :: 120.65(3.86) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 R 0.29 K 0.23 I 0.04 E 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 175.800 CA :: 58.978 CB :: 27.176 CG :: 33.399 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 :: 7.298 HA :: 3.929 HB2 :: 1.878 HB3 :: 1.742 HG2 :: 2.248 HG3 :: 2.062 HE21 :: 6.665 HE22 :: 7.364 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 :: 121.757 NE2 :: 116.183 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 L 0.41 C Shift Assignments>> C :: 173.531 CA :: 59.423 CB :: 41.502 CD1 :: 27.222 CD2 :: 23.795 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 :: 7.528 HA :: 3.727 HB2 :: 1.405 HB3 :: 1.007 HD11 :: -0.059 HD12 :: -0.059 HD13 :: -0.059 HD21 :: 0.164 HD22 :: 0.164 HD23 :: 0.164 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 :: 118.413 Ave N Shift Values>> N :: 121.86(3.9) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.35 G 0.09 HN Overlap>> 1.V84 1.D3 1.V84 1.D3 C Shift Assignments>> C :: 172.855 CA :: 60.635 CB :: 33.238 CG :: 25.840 CD :: 30.381 CE :: 42.877 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 :: 8.162 HA :: 3.913 HB2 :: 1.721 HB3 :: 1.626 HG2 :: 1.211 HG3 :: 1.126 HD2 :: 1.368 HD3 :: 1.368 HE2 :: 2.624 HE3 :: 2.624 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 :: 122.741 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.4 G 0.06 C Shift Assignments>> C :: 176.599 CA :: 59.701 CB :: 33.059 CG :: 25.747 CD :: 30.339 CE :: 42.845 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 :: 7.553 HA :: 3.683 HB2 :: 1.459 HB3 :: 1.459 HG2 :: 1.036 HG3 :: 0.899 HD2 :: 1.233 HD3 :: 1.233 HE2 :: 2.519 HE3 :: 2.519 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 :: 121.096 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 M 0.23 Q 0.23 R 0.08 H 0.07 W 0.05 E 0.03 V 0.03 HN Overlap>> 1.A79 1.A79 C Shift Assignments>> C :: 179.751 CA :: 56.788 CB :: 33.380 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 :: 4.177 HB2 :: 3.413 HB3 :: 2.656 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 :: 116.253 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 179.606 CA :: 46.427 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.453 HA2 :: 3.583 HA3 :: 3.324 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.281 Ave N Shift Values>> N :: 109.67(3.87) 1.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.2 K 0.13 F 0.13 Y 0.08 D 0.04 G 0.03 I 0.01 C Shift Assignments>> C :: 179.382 CA :: 57.826 CB :: 43.025 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 :: 7.674 HA :: 4.536 HB2 :: 2.617 HB3 :: 2.268 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 :: 120.414 Ave N Shift Values>> N :: 120.45(4.18) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 K 0.45 G 0.09 C Shift Assignments>> C :: 179.500 CA :: 56.606 CB :: 35.665 CG :: 24.721 CD :: 30.226 CE :: 42.925 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 :: 8.022 HA :: 4.074 HB2 :: 1.492 HB3 :: 1.383 HG2 :: 1.056 HG3 :: 1.016 HD2 :: 1.312 HD3 :: 1.312 HE2 :: 2.639 HE3 :: 2.639 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 :: 121.411 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 G 0.15 R 0.1 K 0.05 C Shift Assignments>> C :: 176.435 CA :: 55.905 CB :: 43.627 CG :: 26.886 CD2 :: 25.406 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 :: 7.572 HA :: 4.333 HB2 :: 1.221 HB3 :: 1.132 HG :: 0.444 HD21 :: 0.346 HD22 :: 0.346 HD23 :: 0.346 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 :: 129.302 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 16 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 121 #Suspicious: 1 C Shift Results: #Consistent: 441 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 H Shift Results: #Consistent: 737 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 116 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L10 HD21 = -0.241(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1316e-04 1.L10 HD22 = -0.241(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1316e-04 1.L10 HD23 = -0.241(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1316e-04 1.S13 C = 181.522(S), Expected = 174.62, Std = 1.7200, ChiSquare = 6.0005e-05 1.L14 CB = 48.540(S), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2028e-04 1.L14 HG = 0.327(S), Expected = 1.51, Std = 0.3300, ChiSquare = 3.3727e-04 1.G16 C = 180.729(S), Expected = 173.87, Std = 1.8800, ChiSquare = 2.6387e-04 1.Y23 Typing: Mistyped 1.Y23 CB = 30.965(S), Expected = 39.32, Std = 2.1600, ChiSquare = 1.0971e-04 1.P40 HG2 = .642(S), Expected = 1.93, Std = 0.3100, ChiSquare = 3.2552e-05 1.P43 HB2 = 0.769(S), Expected = 2.08, Std = 0.3500, ChiSquare = 1.7988e-04 1.P43 HB3 = 0.769(S), Expected = 2.00, Std = 0.3600, ChiSquare = 6.2749e-04 1.N47 C = 181.502(S), Expected = 175.27, Std = 1.7900, ChiSquare = 4.9849e-04 1.G60 C = 180.180(S), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8969e-04 1.N76 C = 181.188(S), Expected = 175.27, Std = 1.7900, ChiSquare = 9.4589e-04 1.I81 HG21 = -0.182(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.2200e-04 1.I81 HG22 = -0.182(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.2200e-04 1.I81 HG23 = -0.182(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.2200e-04 1.G83 C = 182.305(S), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2334e-06 1.G83 HA3 = 2.670(S), Expected = 3.90, Std = 0.3700, ChiSquare = 8.8633e-04 1.T94 C = 181.231(S), Expected = 174.54, Std = 1.7600, ChiSquare = 1.4370e-04 1.T100 C = 181.000(S), Expected = 174.54, Std = 1.7600, ChiSquare = 2.4212e-04 1.G103 C = 181.937(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.7790e-05 1.R108 HA = 1.930(S), Expected = 4.30, Std = 0.4600, ChiSquare = 2.5748e-07 1.R108 HG3 = 0.533(S), Expected = 1.54, Std = 0.2900, ChiSquare = 5.1580e-04 1.R108 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.V111 CG2 = 26.986(S), Expected = 21.26, Std = 1.5600, ChiSquare = 2.4206e-04