Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.65 M 0.3 C 0.02 C Shift Assignments>> C :: 177.900 CA :: 53.461 CB :: 18.923 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.191 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.17 K 0.16 H 0.1 R 0.1 Q 0.09 W 0.08 E 0.05 V 0.01 C Shift Assignments>> C :: 175.800 CA :: 54.941 CB :: 32.445 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.413 HA :: 4.426 HB2 :: 1.893 HB3 :: 2.526 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.009 Ave N Shift Values>> N :: 120.1(3.88) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.25 L 0.12 C 0.11 F 0.06 Y 0.05 K 0.03 C Shift Assignments>> C :: 174.500 CA :: 52.915 CB :: 40.467 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.072 HA :: 4.769 HB2 :: 2.525 HB3 :: 2.695 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.099 Ave N Shift Values>> N :: 120.73(4.2) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 176.300 CA :: 63.275 CB :: 32.019 CG :: 27.245 CD :: 50.500 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.410 HB2 :: 1.923 HB3 :: 2.214 HG2 :: 1.937 HG3 :: 2.033 HD2 :: 3.619 HD3 :: 3.776 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.35 Q 0.13 E 0.07 K 0.01 C Shift Assignments>> C :: 175.200 CA :: 55.041 CB :: 33.831 CG :: 32.624 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.921 HA :: 4.521 HB2 :: 1.947 HB3 :: 2.053 HG2 :: 2.372 HG3 :: 2.585 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.411 Ave N Shift Values>> N :: 120.1(3.88) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 174.600 CA :: 61.926 CB :: 37.613 CG1 :: 27.548 CG2 :: 17.252 CD1 :: 12.801 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.605 HA :: 3.824 HB :: 1.857 HG12 :: 1.333 HG13 :: 1.333 HG21 :: 0.427 HG22 :: 0.427 HG23 :: 0.427 HD11 :: 0.483 HD12 :: 0.483 HD13 :: 0.483 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.818 Ave N Shift Values>> N :: 121.6(4.72) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 175.200 CA :: 60.405 CB :: 41.408 CG1 :: 27.054 CG2 :: 18.285 CD1 :: 15.084 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.038 HA :: 4.758 HB :: 1.584 HG12 :: 0.710 HG13 :: 0.710 HG21 :: 0.517 HG22 :: 0.517 HG23 :: 0.517 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.894 Ave N Shift Values>> N :: 121.6(4.72) 1.R9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.33 R 0.11 G 0.04 C Shift Assignments>> C :: 175.500 CA :: 53.678 CB :: 34.639 CG :: 27.504 CD :: 42.560 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.717 HA :: 5.074 HB2 :: 1.404 HB3 :: 1.754 HG2 :: 1.243 HG3 :: 1.408 HD2 :: 2.284(S) HD3 :: 2.721 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.794 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.200 CA :: 44.410 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.337 HA2 :: 3.377 HA3 :: 3.377 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.675 Ave N Shift Values>> N :: 109.91(4.29) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 174.100 CA :: 60.249 CB :: 41.306 CG1 :: 27.895 CG2 :: 18.939 CD1 :: 14.394 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.910 HA :: 4.661 HB :: 1.573 HG12 :: 0.879 HG13 :: 1.340 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.602 HD12 :: 0.602 HD13 :: 0.602 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.768 Ave N Shift Values>> N :: 121.6(4.72) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.26 K 0.21 G 0.07 C Shift Assignments>> C :: 177.100 CA :: 54.342 CB :: 33.707 CG :: 26.913 CD :: 43.011 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.449 HA :: 5.008 HB2 :: 1.641 HB3 :: 1.794 HG2 :: 1.768 HG3 :: 1.768 HD2 :: 3.066 HD3 :: 3.311 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.661 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 174.300 CA :: 47.121 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.842 HA2 :: 3.756 HA3 :: 3.935 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.642 Ave N Shift Values>> N :: 109.91(4.29) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 L 0.15 M 0.14 C 0.09 C Shift Assignments>> C :: 177.900 CA :: 51.571 CB :: 21.598 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.511 HA :: 4.099 HB1 :: 1.141 HB2 :: 1.141 HB3 :: 1.141 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.251 Ave N Shift Values>> N :: 123.23(3.7) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.34 K 0.16 G 0.06 C Shift Assignments>> C :: 175.200 CA :: 54.827 CB :: 31.730 CG :: 27.150 CD :: 43.156 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.119 HA :: 4.514 HB2 :: 1.576 HB3 :: 1.607 HG2 :: 1.376 HG3 :: 1.376 HD2 :: 3.085 HD3 :: 3.085 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.934 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.26 C Shift Assignments>> C :: 174.200 CA :: 59.426 CB :: 35.798 CG1 :: 26.458 CG2 :: 17.088 CD1 :: 9.840 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.895 HA :: 3.672 HB :: 1.938 HG12 :: 0.877 HG13 :: 1.239 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 HD11 :: 0.436 HD12 :: 0.436 HD13 :: 0.436 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.403 Ave N Shift Values>> N :: 121.6(4.72) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.28 C 0.13 C Shift Assignments>> C :: 175.500 CA :: 51.451 CB :: 39.935 CG :: 176.411 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.094 HA :: 4.759 HB2 :: 2.700 HB3 :: 2.700 HD21 :: 7.595 HD22 :: 6.877 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.377 ND2 :: 112.787 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 N 0.38 D 0.13 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 176.600 CA :: 55.841 CB :: 38.131 CG :: 176.000 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.985 HA :: 4.434 HB2 :: 2.870 HB3 :: 2.870 HD21 :: 7.543 HD22 :: 6.838 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.320 ND2 :: 111.293 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 K 0.12 I 0.12 Q 0.08 M 0.02 C Shift Assignments>> C :: 179.400 CA :: 58.832 CB :: 29.104 CG :: 35.728 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.514 HA :: 4.047 HB2 :: 1.837 HB3 :: 1.929 HG2 :: 2.196 HG3 :: 2.265 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.442 Ave N Shift Values>> N :: 120.68(3.68) 1.I20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.72 C 0.22 V 0.04 C Shift Assignments>> C :: 176.200 CA :: 64.369 CB :: 36.920 CG1 :: 23.470 CG2 :: 17.821 CD1 :: 14.532 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.659 HA :: 3.679 HB :: 1.466 HG12 :: -0.103(S) HG13 :: 0.995 HG21 :: 0.696 HG22 :: 0.696 HG23 :: 0.696 HD11 :: 0.292 HD12 :: 0.292 HD13 :: 0.292 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 111.733 Ave N Shift Values>> N :: 121.6(4.72) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.23 F 0.18 I 0.18 E 0.09 M 0.01 D 0.01 C Shift Assignments>> C :: 176.100 CA :: 58.852 CB :: 38.032 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.994 HA :: 4.602 HB2 :: 2.698 HB3 :: 3.450 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.629 Ave N Shift Values>> N :: 120.69(4.18) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.35 C 0.14 C Shift Assignments>> C :: 178.700 CA :: 52.702 CB :: 39.731 CG :: 177.009 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.823 HA :: 5.113 HB2 :: 2.641 HB3 :: 3.100 HD21 :: 7.499 HD22 :: 6.784 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.592 ND2 :: 112.722 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.22 C 0.22 A 0.08 R 0.03 C Shift Assignments>> C :: 177.400 CA :: 54.941 CB :: 44.089 CG :: 26.117 CD1 :: 25.857 CD2 :: 22.129 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.665 HA :: 4.366 HB2 :: 1.495 HB3 :: 1.554 HG :: 1.695 HD11 :: 0.644 HD12 :: 0.644 HD13 :: 0.644 HD21 :: 0.720 HD22 :: 0.720 HD23 :: 0.720 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.216 Ave N Shift Values>> N :: 121.98(4.07) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.700 CA :: 45.924 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.588 HA2 :: 3.766 HA3 :: 3.928 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.970 Ave N Shift Values>> N :: 109.91(4.29) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.21 A 0.17 G 0.09 K 0.01 HN Overlap>> 1.M60 1.M60 C Shift Assignments>> C :: 176.400 CA :: 53.671 CB :: 43.085 CG :: 26.018 CD2 :: 22.125 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.560 HA :: 4.406 HB2 :: 1.314 HB3 :: 1.740 HG :: 1.482 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.727 Ave N Shift Values>> N :: 121.98(4.07) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.29 R 0.29 M 0.03 G 0.01 HN Overlap>> 1.N18 1.N18 C Shift Assignments>> C :: 171.900 CA :: 54.849 CB :: 31.017 CG :: 24.553 CD :: 29.153 CE :: 42.438 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.905 HA :: 3.546 HB2 :: 1.296 HB3 :: 1.690 HG2 :: 1.404 HG3 :: 1.404 HD2 :: 1.701 HD3 :: 1.751 HE2 :: 3.049 HE3 :: 3.049 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.373 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 172.400 CA :: 56.223 CB :: 40.149 CG :: 138.363 CD1 :: 130.923 CD2 :: 130.923 CE1 :: 130.780 CE2 :: 130.780 CZ :: 128.829 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.251 HA :: 4.357 HB2 :: 2.836 HB3 :: 2.836 HD1 :: 6.410 HD2 :: 6.410 HE1 :: 6.887 HE2 :: 6.887 HZ :: 6.828 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.811 Ave N Shift Values>> N :: 120.69(4.18) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 E 0.19 Q 0.06 C Shift Assignments>> C :: 171.900 CA :: 54.125 CB :: 33.933 CD :: 180.168 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.268 HA :: 4.299 HB2 :: 2.321 HB3 :: 2.420 HG2 :: 2.019 HG3 :: 2.019 HE21 :: 7.605 HE22 :: 6.912 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.715 NE2 :: 112.089 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.48 G 0.02 A 0.01 C Shift Assignments>> C :: 172.800 CA :: 59.154 CB :: 42.114 CG1 :: 27.704 CG2 :: 17.670 CD1 :: 14.460 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.668 HA :: 5.575 HB :: 1.668 HG12 :: 1.051 HG13 :: 1.051 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.533 Ave N Shift Values>> N :: 121.6(4.72) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.19 C 0.1 A 0.03 C Shift Assignments>> C :: 176.800 CA :: 51.674 CB :: 45.201 CG :: 27.128 CD1 :: 26.010 CD2 :: 23.314 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.796 HA :: 5.155 HB2 :: 1.425 HB3 :: 1.425 HG :: 1.476 HD11 :: 0.463 HD12 :: 0.463 HD13 :: 0.463 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.967 Ave N Shift Values>> N :: 121.98(4.07) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.26 D 0.09 C Shift Assignments>> C :: 175.900 CA :: 52.936 CB :: 37.587 CG :: 176.100 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.112 HA :: 4.667 HB2 :: 2.666 HB3 :: 3.058 HD21 :: 7.792 HD22 :: 7.092 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.730 ND2 :: 108.218 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.34 C 0.02 C Shift Assignments>> C :: 178.200 CA :: 53.674 CB :: 18.552 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.406 HA :: 3.746 HB1 :: 0.962 HB2 :: 0.962 HB3 :: 0.962 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.738 Ave N Shift Values>> N :: 123.23(3.7) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.22 C 0.2 D 0.1 N 0.06 L 0.05 I 0.05 E 0.02 C Shift Assignments>> C :: 174.500 CA :: 56.745 CB :: 39.224 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.550 HA :: 4.412 HB2 :: 2.818 HB3 :: 2.818 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.024 Ave N Shift Values>> N :: 120.73(4.2) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 172.900 CA :: 59.469 CB :: 31.998 CG1 :: 22.616 CG2 :: 19.899 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.787 HA :: 4.396 HB :: 2.528 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 107.763 Ave N Shift Values>> N :: 121.02(4.96) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 176.100 CA :: 61.045 CB :: 32.340 CG1 :: 23.418 CG2 :: 23.655 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.639 HA :: 4.223 HB :: 1.858 HG11 :: 0.617 HG12 :: 0.617 HG13 :: 0.617 HG21 :: 0.670 HG22 :: 0.670 HG23 :: 0.670 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.157 Ave N Shift Values>> N :: 121.02(4.96) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.83 M 0.12 G 0.02 C 0.01 C Shift Assignments>> C :: 177.100 CA :: 49.527 CB :: 16.971 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.487 HB1 :: 1.159 HB2 :: 1.159 HB3 :: 1.159 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 174.200 CA :: 64.025 CB :: 72.619 CG2 :: 23.052 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.707 HA :: 4.440 HB :: 4.561 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.097 Ave N Shift Values>> N :: 115.7(5.05) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.29 K 0.24 C Shift Assignments>> C :: 177.300 CA :: 60.207 CB :: 32.470 CG :: 27.075 CD :: 29.609 CE :: 41.788 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.133 HA :: 3.575 HB2 :: 1.789 HB3 :: 1.789 HG2 :: 1.273 HG3 :: 1.314 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.733 HE3 :: 2.820 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.454 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.17 C Shift Assignments>> C :: 178.300 CA :: 60.053 CB :: 33.210 CG :: 25.625 CD :: 29.341 CE :: 41.792 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.966 HA :: 3.839 HB2 :: 1.521 HB3 :: 1.690 HG2 :: 1.303 HG3 :: 1.491 HD2 :: 1.524 HD3 :: 1.524 HE2 :: 2.841 HE3 :: 2.841 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.677 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 W 0.3 H 0.07 C Shift Assignments>> C :: 176.700 CA :: 57.343 CB :: 33.433 CD2 :: 112.998 CE1 :: 136.970 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.154 HA :: 4.183 HB2 :: 3.123 HB3 :: 3.496 HD2 :: 6.698 HE1 :: 7.513 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.450 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 176.700 CA :: 66.276 CB :: 31.791 CG1 :: 22.440 CG2 :: 23.102 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.579 HA :: 3.183 HB :: 1.998 HG11 :: 0.807 HG12 :: 0.807 HG13 :: 0.807 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.632 Ave N Shift Values>> N :: 121.02(4.96) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.38 R 0.06 C Shift Assignments>> C :: 179.300 CA :: 58.224 CB :: 41.425 CG :: 27.315 CD1 :: 25.265 CD2 :: 23.155 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.604 HA :: 3.858 HB2 :: 1.461 HB3 :: 1.731 HG :: 1.522 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.270 Ave N Shift Values>> N :: 121.98(4.07) 1.H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 H 0.31 W 0.3 C Shift Assignments>> C :: 177.200 CA :: 60.029 CB :: 31.172 CD2 :: 118.574 CE1 :: 135.261 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.197 HA :: 4.286 HB2 :: 3.109 HB3 :: 3.139 HD2 :: 6.718 HE1 :: 7.902 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.443 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.25 I 0.06 C 0.03 C Shift Assignments>> C :: 178.900 CA :: 55.672 CB :: 17.723 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.731 HA :: 3.726 HB1 :: 1.460 HB2 :: 1.460 HB3 :: 1.460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.004 Ave N Shift Values>> N :: 123.23(3.7) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 176.800 CA :: 65.820 CB :: 38.583 CG1 :: 29.654 CG2 :: 17.509 CD1 :: 16.000 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.305 HA :: 3.288 HB :: 1.745 HG12 :: 1.774 HG13 :: 1.774 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.643 Ave N Shift Values>> N :: 121.6(4.72) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 N 0.23 D 0.15 C Shift Assignments>> C :: 179.600 CA :: 57.030 CB :: 38.677 CG :: 176.000 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.149 HA :: 4.374 HB2 :: 2.710 HB3 :: 2.710 HD21 :: 7.558 HD22 :: 6.840 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.372 ND2 :: 112.822 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.42 E 0.13 C Shift Assignments>> C :: 176.700 CA :: 58.129 CB :: 29.150 CG :: 33.713 CD :: 179.207 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.421 HA :: 3.740 HB2 :: 1.835 HB3 :: 1.835 HG2 :: 1.861 HG3 :: 2.012 HE21 :: 7.242 HE22 :: 6.907 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.737 NE2 :: 114.567 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.41 C 0.03 I 0.01 C Shift Assignments>> C :: 178.700 CA :: 54.383 CB :: 18.790 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.994 HA :: 3.980 HB1 :: 1.119 HB2 :: 1.119 HB3 :: 1.119 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.924 Ave N Shift Values>> N :: 123.23(3.7) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.21 M 0.01 C Shift Assignments>> C :: 177.900 CA :: 58.141 CB :: 33.825 CG :: 25.950 CD :: 29.367 CE :: 41.650 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.850 HA :: 4.175 HB2 :: 1.925 HB3 :: 1.925 HG2 :: 1.259 HG3 :: 1.654 HD2 :: 1.438 HD3 :: 1.504 HE2 :: 2.558 HE3 :: 2.641 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.582 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.500 CA :: 62.165 CB :: 71.212 CG2 :: 21.112 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.318 HA :: 4.424 HB :: 4.138 HG21 :: 1.105 HG22 :: 1.105 HG23 :: 1.105 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.271 Ave N Shift Values>> N :: 115.7(5.05) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.32 R 0.15 M 0.03 G 0.03 C Shift Assignments>> C :: 176.100 CA :: 53.684 CB :: 33.091 CG :: 24.635 CD :: 29.376 CE :: 42.557 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.704 HA :: 4.530 HB2 :: 1.683 HB3 :: 1.782 HG2 :: 1.377 HG3 :: 1.428 HD2 :: 1.604 HD3 :: 1.604 HE2 :: 2.892 HE3 :: 2.892 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.078 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.3 R 0.22 M 0.04 G 0.01 C Shift Assignments>> C :: 174.800 CA :: 54.526 CB :: 31.831 CG :: 24.593 CD :: 29.190 CE :: 42.189 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.464 HA :: 4.331 HB2 :: 1.650 HB3 :: 1.650 HG2 :: 1.366 HG3 :: 1.436 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.945 HE3 :: 2.945 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.579 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 177.600 CA :: 63.539 CB :: 32.641 CG :: 27.164 CD :: 50.884 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.253 HB2 :: 1.936 HB3 :: 2.169 HG2 :: 2.027 HG3 :: 2.027 HD2 :: 3.519 HD3 :: 3.744 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.100 CA :: 63.228 CB :: 40.039 CG1 :: 28.980 CG2 :: 17.531 CD1 :: 14.251 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 10.078 HA :: 3.864 HB :: 1.859 HG12 :: 1.643 HG13 :: 1.643 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.368 Ave N Shift Values>> N :: 121.6(4.72) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.09 C 0.04 L 0.02 C Shift Assignments>> C :: 177.500 CA :: 50.443 CB :: 20.571 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.048 HA :: 4.505 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.077 Ave N Shift Values>> N :: 123.23(3.7) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 M 0.02 G 0.01 C Shift Assignments>> C :: 176.300 CA :: 57.141 CB :: 32.660 CG :: 25.117 CD :: 28.877 CE :: 42.236 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.507 HA :: 4.177 HB2 :: 1.817 HB3 :: 1.958 HG2 :: 1.411 HG3 :: 1.493 HD2 :: 1.651 HD3 :: 1.651 HE2 :: 2.972 HE3 :: 2.972 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.060 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 174.300 CA :: 56.074 CB :: 66.538 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.342 HA :: 4.762 HB2 :: 3.885 HB3 :: 4.225 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.913 Ave N Shift Values>> N :: 116.3(3.95) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 174.700 CA :: 59.966 CB :: 39.924 CG :: 137.288 CD1 :: 131.802 CD2 :: 131.914 CE1 :: 130.647 CE2 :: 131.821 CZ :: 128.040 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> HA :: 4.171 HB2 :: 2.020 HB3 :: 3.136 HD1 :: 7.243 HD2 :: 7.243 HE1 :: 6.270 HE2 :: 5.860 HZ :: 6.554 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.W59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.41 H 0.02 C Shift Assignments>> C :: 180.100 CA :: 58.490 CB :: 28.444 CD1 :: 126.802 CZ2 :: 115.229 CZ3 :: 120.824 CH2 :: 124.373 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 6.603 HA :: 3.641 HB2 :: 2.822 HB3 :: 3.353 HD1 :: 7.471 HE1 :: 10.462 HZ2 :: 7.564 HZ3 :: 6.710 HH2 :: 7.053 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.508 NE1 :: 129.102 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.14 M 0.13 K 0.12 H 0.12 W 0.11 E 0.1 Q 0.07 V 0.01 HN Overlap>> 1.L25 1.L25 C Shift Assignments>> C :: 177.400 CA :: 56.375 CB :: 31.561 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.478 HA :: 4.398 HB2 :: 2.035 HB3 :: 2.035 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.747 Ave N Shift Values>> N :: 120.1(3.88) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.29 K 0.14 Q 0.12 I 0.08 M 0.03 C Shift Assignments>> C :: 178.800 CA :: 58.672 CB :: 29.313 CG :: 35.388 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.485 HA :: 3.767 HB2 :: 2.349 HB3 :: 2.349 HG2 :: 1.893 HG3 :: 1.893 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.803 Ave N Shift Values>> N :: 120.68(3.68) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 176.600 CA :: 66.066 CB :: 38.667 CG1 :: 28.120 CG2 :: 16.478 CD1 :: 14.621 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.298 HA :: 2.979 HB :: 1.444 HG12 :: 0.095 HG13 :: 0.983 HG21 :: 0.491 HG22 :: 0.491 HG23 :: 0.491 HD11 :: 0.237 HD12 :: 0.237 HD13 :: 0.237 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.342 Ave N Shift Values>> N :: 121.6(4.72) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.34 R 0.16 G 0.02 K 0.01 C Shift Assignments>> C :: 178.800 CA :: 58.617 CB :: 42.507 CG :: 27.050 CD1 :: 26.291 CD2 :: 24.852 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.608 HA :: 3.622 HB2 :: 1.653 HB3 :: 1.598 HG :: 1.391 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 HD21 :: 0.537 HD22 :: 0.537 HD23 :: 0.537 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.593 Ave N Shift Values>> N :: 121.98(4.07) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.900 CA :: 66.340 CB :: 32.441 CG1 :: 22.572 CG2 :: 21.088 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> HA :: 3.478 HB :: 2.033 HG11 :: 0.813 HG12 :: 0.813 HG13 :: 0.813 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.35 K 0.21 L 0.04 C Shift Assignments>> C :: 178.400 CA :: 56.745 CB :: 29.622 CG :: 27.289 CD :: 41.736 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.696 HA :: 4.051 HB2 :: 1.974 HB3 :: 2.045 HG2 :: 1.458 HG3 :: 1.458 HD2 :: 2.973 HD3 :: 2.973 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.383 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.47 C 0.02 I 0.02 C Shift Assignments>> C :: 177.500 CA :: 54.362 CB :: 17.850 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.465 HA :: 4.131 HB1 :: 1.232 HB2 :: 1.232 HB3 :: 1.232 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.106 Ave N Shift Values>> N :: 123.23(3.7) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 174.600 CA :: 59.865 CB :: 65.715 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.708 HA :: 4.424 HB2 :: 3.922 HB3 :: 4.041 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.130 Ave N Shift Values>> N :: 116.3(3.95) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 171.800 CA :: 46.756 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.844 HA2 :: 3.722 HA3 :: 4.076 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.317 Ave N Shift Values>> N :: 109.91(4.29) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 K 0.14 C 0.13 W 0.1 R 0.1 E 0.08 M 0.04 L 0.04 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 172.700 CA :: 54.288 CB :: 29.078 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.942 HA :: 4.432 HB2 :: 1.622 HB3 :: 1.622 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.556 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.33 K 0.24 G 0.05 C Shift Assignments>> C :: 176.100 CA :: 57.808 CB :: 31.767 CG :: 28.853 CD :: 43.223 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.916 HA :: 3.933 HB2 :: 1.657 HB3 :: 1.707 HG2 :: 1.436 HG3 :: 1.548 HD2 :: 3.129 HD3 :: 3.215 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.443 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.24 K 0.23 E 0.1 M 0.08 R 0.04 C Shift Assignments>> C :: 177.800 CA :: 54.851 CB :: 29.390 CG :: 33.899 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.886 HA :: 4.397 HB2 :: 1.971 HB3 :: 2.044 HG2 :: 2.314 HG3 :: 2.411 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.072 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 176.800 CA :: 64.368 CB :: 37.191 CG1 :: 28.912 CG2 :: 17.641 CD1 :: 12.831 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.740 HA :: 3.489 HB :: 1.819 HG12 :: 1.227 HG13 :: 1.227 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.554 Ave N Shift Values>> N :: 121.6(4.72) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 H 0.31 C 0.28 C Shift Assignments>> C :: 178.200 CA :: 59.532 CB :: 28.538 CD2 :: 119.452 CE1 :: 137.732 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.674 HA :: 4.154 HB2 :: 3.077 HB3 :: 3.163 HD2 :: 7.086 HE1 :: 7.688 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.802 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.24 K 0.19 Q 0.18 I 0.04 M 0.03 R 0.01 C Shift Assignments>> C :: 177.900 CA :: 57.660 CB :: 29.063 CG :: 35.027 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.675 HA :: 4.005 HB2 :: 1.900 HB3 :: 1.923 HG2 :: 1.968 HG3 :: 2.163 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.389 Ave N Shift Values>> N :: 120.68(3.68) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.34 C 0.04 I 0.03 V 0.02 L 0.01 C Shift Assignments>> C :: 179.300 CA :: 55.480 CB :: 19.192 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.955 HA :: 3.777 HB1 :: 1.307 HB2 :: 1.307 HB3 :: 1.307 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.496 Ave N Shift Values>> N :: 123.23(3.7) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.600 CA :: 65.021 CB :: 38.264 CG1 :: 30.167 CG2 :: 16.999 CD1 :: 13.397 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.992 HA :: 3.180 HB :: 1.651 HG12 :: 0.599 HG13 :: 0.599 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 HD11 :: 0.561 HD12 :: 0.561 HD13 :: 0.561 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.830 Ave N Shift Values>> N :: 121.6(4.72) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.13 M 0.02 C Shift Assignments>> C :: 177.800 CA :: 60.020 CB :: 32.336 CG :: 24.774 CD :: 29.352 CE :: 41.781 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.149 HA :: 3.860 HB2 :: 1.775 HB3 :: 1.775 HG2 :: 1.267 HG3 :: 1.428 HD2 :: 1.597 HD3 :: 1.597 HE2 :: 2.820 HE3 :: 2.820 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.856 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.I99 1.I99 C Shift Assignments>> C :: 176.300 CA :: 63.615 CB :: 38.760 CG1 :: 28.645 CG2 :: 16.698 CD1 :: 13.092 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.555 HA :: 3.703 HB :: 1.669 HG12 :: 1.051 HG13 :: 1.514 HG21 :: 0.549 HG22 :: 0.549 HG23 :: 0.549 HD11 :: 0.660 HD12 :: 0.660 HD13 :: 0.660 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.378 Ave N Shift Values>> N :: 121.6(4.72) 1.I79 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.42 C Shift Assignments>> C :: 175.200 CA :: 60.204 CB :: 45.181(A) CG1 :: 31.958 CG2 :: 16.150 CD1 :: 15.985 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.117 HA :: 4.744 HB :: 1.266 HG12 :: 1.489 HG13 :: 1.816 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 HD11 :: 0.723 HD12 :: 0.723 HD13 :: 0.723 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.277 Ave N Shift Values>> N :: 121.6(4.72) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.400 CA :: 45.167 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.190 HA2 :: 3.811 HA3 :: 4.010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.353 Ave N Shift Values>> N :: 109.91(4.29) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.29 L 0.15 C 0.08 V 0.01 C Shift Assignments>> C :: 176.200 CA :: 53.774 CB :: 21.107 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.759 HA :: 3.685 HB1 :: 1.217 HB2 :: 1.217 HB3 :: 1.217 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.026 Ave N Shift Values>> N :: 123.23(3.7) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.35 R 0.09 M 0.03 G 0.02 A 0.01 C Shift Assignments>> C :: 174.600 CA :: 54.375 CB :: 35.639 CG :: 23.769 CD :: 29.145 CE :: 42.219 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.102 HA :: 4.422 HB2 :: 1.650 HB3 :: 1.908 HG2 :: 1.322 HG3 :: 1.322 HD2 :: 1.606 HD3 :: 1.647 HE2 :: 2.977 HE3 :: 2.977 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.253 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 D 0.16 Y 0.16 C 0.14 L 0.14 K 0.1 N 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 175.900 CA :: 56.331 CB :: 40.567 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.139 HA :: 4.162 HB2 :: 2.525 HB3 :: 2.637 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.108 Ave N Shift Values>> N :: 120.73(4.2) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 172.500 CA :: 45.063 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.436 HA2 :: 3.525 HA3 :: 4.478 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.334 Ave N Shift Values>> N :: 109.91(4.29) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.21 D 0.11 C Shift Assignments>> C :: 176.500 CA :: 52.189 CB :: 38.327 CG :: 175.544 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.132 HA :: 5.715 HB2 :: 2.253 HB3 :: 2.967 HD21 :: 8.613 HD22 :: 6.805 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.929 ND2 :: 115.469 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.18 I 0.02 A 0.01 C Shift Assignments>> C :: 173.400 CA :: 58.971 CB :: 36.331 CG1 :: 21.917 CG2 :: 19.833 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.641 HA :: 5.445 HB :: 2.071 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.585 Ave N Shift Values>> N :: 121.02(4.96) 1.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.13 W 0.12 E 0.11 C 0.11 R 0.09 L 0.03 M 0.03 I 0.02 C Shift Assignments>> C :: 172.300 CA :: 56.535 CB :: 28.877 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.011 HA :: 5.057 HB2 :: 2.152 HB3 :: 2.526 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.672 Ave N Shift Values>> N :: 119.95(4.79) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.27 C 0.23 R 0.07 C Shift Assignments>> C :: 173.400 CA :: 54.597 CB :: 44.981 CG :: 28.096 CD1 :: 26.018 CD2 :: 24.744 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.378 HA :: 4.960 HB2 :: 1.114 HB3 :: 1.830 HG :: 1.549 HD11 :: 0.445 HD12 :: 0.445 HD13 :: 0.445 HD21 :: 0.756 HD22 :: 0.756 HD23 :: 0.756 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 132.866 Ave N Shift Values>> N :: 121.98(4.07) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 I 0.23 G 0.01 C Shift Assignments>> C :: 175.800 CA :: 59.736 CB :: 41.796 CG1 :: 28.471 CG2 :: 19.392 CD1 :: 16.722 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.842 HA :: 5.531 HB :: 1.765 HG12 :: 0.849 HG13 :: 1.660 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.695 Ave N Shift Values>> N :: 121.6(4.72) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.14 C 0.13 H 0.12 Q 0.1 M 0.08 K 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 172.300 CA :: 57.377 CB :: 30.718 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.330 HA :: 5.034 HB2 :: 3.172 HB3 :: 3.294 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.666 Ave N Shift Values>> N :: 119.95(4.79) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.35 M 0.11 I 0.07 K 0.01 C Shift Assignments>> C :: 176.000 CA :: 57.984 CB :: 31.598 CG :: 36.973 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.669 HA :: 4.703 HB2 :: 2.290 HB3 :: 2.185 HG2 :: 2.485 HG3 :: 2.576 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.759 Ave N Shift Values>> N :: 120.68(3.68) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.23 C 0.12 R 0.12 D 0.08 F 0.01 K 0.01 C Shift Assignments>> C :: 175.300 CA :: 52.376 CB :: 44.039 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.321 HA :: 4.960 HB2 :: 2.734 HB3 :: 3.030 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.703 Ave N Shift Values>> N :: 120.73(4.2) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.25 Q 0.18 K 0.17 M 0.05 I 0.04 R 0.01 C Shift Assignments>> C :: 178.500 CA :: 58.206 CB :: 29.562 CG :: 34.917 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.902 HA :: 4.091 HB2 :: 1.881 HB3 :: 2.027 HG2 :: 2.281 HG3 :: 2.309 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.211 Ave N Shift Values>> N :: 120.68(3.68) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.27 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.300 CA :: 59.945 CB :: 29.030 CG :: 36.362 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.563 HA :: 4.046 HB2 :: 1.952 HB3 :: 2.088 HG2 :: 2.259 HG3 :: 2.259 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.333 Ave N Shift Values>> N :: 120.68(3.68) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 T 0.34 C Shift Assignments>> C :: 175.000 CA :: 67.888 CG2 :: 21.551 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.530 HA :: 3.578 HB :: 4.234 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.335 Ave N Shift Values>> N :: 115.7(5.05) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> C :: 175.800 CA :: 62.617 CB :: 38.671 CG :: 138.672 CD1 :: 132.445 CD2 :: 132.445 CE1 :: 130.971 CE2 :: 130.971 CZ :: 128.709 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.600 HA :: 3.682 HB2 :: 2.784 HB3 :: 3.294 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 6.909 HE2 :: 6.909 HZ :: 6.509 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.835 Ave N Shift Values>> N :: 120.69(4.18) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 G 0.07 K 0.06 L 0.01 C Shift Assignments>> C :: 178.400 CA :: 59.655 CB :: 29.764 CG :: 27.478 CD :: 43.236 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.507 HA :: 3.716 HB2 :: 1.922 HB3 :: 1.922 HG2 :: 1.913 HG3 :: 1.913 HD2 :: 3.203 HD3 :: 3.203 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.602 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 179.900 CA :: 58.888 CB :: 32.623 CG :: 25.216 CD :: 29.319 CE :: 42.022 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.630 HA :: 3.850 HB2 :: 1.587 HB3 :: 1.758 HG2 :: 1.317 HG3 :: 1.593 HD2 :: 1.578 HD3 :: 1.578 HE2 :: 2.774 HE3 :: 2.845 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.465 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.6 C 0.39 HN Overlap>> 1.I78 1.I78 C Shift Assignments>> C :: 178.200 CA :: 62.474 CB :: 35.539 CG1 :: 27.023 CG2 :: 18.401 CD1 :: 10.985 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.620 HA :: 3.308 HB :: 1.344 HG12 :: 0.293 HG13 :: 0.680 HG21 :: 0.224 HG22 :: 0.224 HG23 :: 0.224 HD11 :: -0.359(S) HD12 :: -0.359(S) HD13 :: -0.359(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.315 Ave N Shift Values>> N :: 121.6(4.72) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 178.300 CA :: 58.878 CB :: 38.039 CD1 :: 133.431 CD2 :: 132.361 CE1 :: 118.542 CE2 :: 117.914 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.666 HA :: 4.035 HB2 :: 2.144 HB3 :: 2.144 HD1 :: 7.101 HD2 :: 6.812 HE1 :: 6.810 HE2 :: 6.485 HH :: 9.782 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.713 Ave N Shift Values>> N :: 120.79(4.69) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.18 K 0.08 Q 0.03 M 0.01 HN Overlap>> 1.Q69 1.Q69 C Shift Assignments>> C :: 178.000 CA :: 58.818 CB :: 29.067 CG :: 36.364 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.914 HA :: 3.531 HB2 :: 1.894 HB3 :: 1.894 HG2 :: 2.066 HG3 :: 2.279 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.549 Ave N Shift Values>> N :: 120.68(3.68) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.29 R 0.12 G 0.06 A 0.01 C Shift Assignments>> C :: 179.000 CA :: 56.736 CB :: 43.111 CG :: 26.783 CD1 :: 25.894 CD2 :: 22.572 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.992 HA :: 4.097 HB2 :: 1.135 HB3 :: 1.788 HG :: 1.626 HD11 :: 0.576 HD12 :: 0.576 HD13 :: 0.576 HD21 :: 0.680 HD22 :: 0.680 HD23 :: 0.680 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.226 Ave N Shift Values>> N :: 121.98(4.07) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 176.900 CA :: 61.748 CB :: 38.299 CG1 :: 23.321 CG2 :: 17.495 CD1 :: 14.065 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.859 HA :: 4.788 HB :: 1.836 HG12 :: 1.346 HG13 :: 2.053 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 HD11 :: 0.496 HD12 :: 0.496 HD13 :: 0.496 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.118 Ave N Shift Values>> N :: 121.6(4.72) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 170.400 CA :: 45.448 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.961 HA2 :: 3.321 HA3 :: 3.777 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.696 Ave N Shift Values>> N :: 109.91(4.29) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.11 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 175.400 CA :: 43.576 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.299 HA2 :: 3.581 HA3 :: 4.211 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 99.901 Ave N Shift Values>> N :: 109.91(4.29) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.33 E 0.16 Q 0.03 C Shift Assignments>> C :: 175.400 CA :: 54.435 CB :: 32.827 CG :: 35.714 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.796 HA :: 4.796 HB2 :: 1.874 HB3 :: 1.970 HG2 :: 2.214 HG3 :: 2.250 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.464 Ave N Shift Values>> N :: 120.68(3.68) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 176.200 CA :: 62.994 CB :: 36.815 CG1 :: 28.351 CG2 :: 17.299 CD1 :: 13.123 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.672 HA :: 3.900 HB :: 1.661 HG12 :: 0.546 HG13 :: 1.350 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: 0.497 HD12 :: 0.497 HD13 :: 0.497 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.282 Ave N Shift Values>> N :: 121.6(4.72) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.18 L 0.14 C 0.11 F 0.08 Y 0.07 K 0.06 C Shift Assignments>> C :: 175.100 CA :: 53.743 CB :: 40.566 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.847 HA :: 4.564 HB2 :: 2.698 HB3 :: 2.698 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.342 Ave N Shift Values>> N :: 120.73(4.2) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.23 C 0.18 D 0.11 L 0.08 I 0.05 N 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 179.000 CA :: 57.030 CB :: 39.839 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.180 HA :: 4.374 HB2 :: 2.611 HB3 :: 2.767 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.344 Ave N Shift Values>> N :: 120.73(4.2) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.700 CA :: 61.671 CB :: 62.348 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.820 HA :: 3.621 HB2 :: 4.179 HB3 :: 3.923 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.584 Ave N Shift Values>> N :: 116.3(3.95) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.43 I 0.03 C Shift Assignments>> C :: 176.900 CA :: 63.196 CB :: 30.936 CG1 :: 20.711 CG2 :: 17.703 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.178 HA :: 4.124 HB :: 2.259 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.068 Ave N Shift Values>> N :: 121.02(4.96) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.45 A 0.06 C Shift Assignments>> C :: 176.900 CA :: 55.518 CB :: 41.032 CG :: 25.331 CD1 :: 22.597 CD2 :: 22.692 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.689 HA :: 3.910 HB2 :: 1.190 HB3 :: 1.969 HG :: 0.778 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.675 Ave N Shift Values>> N :: 121.98(4.07) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.08 Q 0.04 I 0.03 C Shift Assignments>> C :: 177.300 CA :: 55.911 CB :: 30.165 CG :: 36.385 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.026 HA :: 4.120 HB2 :: 2.069 HB3 :: 2.194 HG2 :: 2.295 HG3 :: 2.408 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.405 Ave N Shift Values>> N :: 120.68(3.68) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 174.500 CA :: 61.209 CB :: 37.613 CG1 :: 27.274 CG2 :: 18.703 CD1 :: 12.226 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.169 HA :: 3.940 HB :: 1.857 HG12 :: 1.142 HG13 :: 1.460 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.111 Ave N Shift Values>> N :: 121.6(4.72) 1.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.27 C 0.14 C Shift Assignments>> C :: 174.800 CA :: 51.755 CB :: 40.047 CG :: 176.109 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 6.868 HA :: 4.819 HB2 :: 2.921 HB3 :: 3.157 HD21 :: 7.618 HD22 :: 7.085 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.316 ND2 :: 114.624 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.31 E 0.28 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> C :: 178.700 CA :: 60.710 CB :: 29.763 CG :: 36.385 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.941 HA :: 4.080 HB2 :: 2.018 HB3 :: 2.053 HG2 :: 2.293 HG3 :: 2.315 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.635 Ave N Shift Values>> N :: 120.68(3.68) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.15 L 0.11 K 0.11 D 0.09 I 0.05 R 0.01 N 0.01 C Shift Assignments>> C :: 179.000 CA :: 57.421 CB :: 40.578 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.219 HA :: 4.438 HB2 :: 2.639 HB3 :: 2.639 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.981 Ave N Shift Values>> N :: 120.73(4.2) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.3 R 0.23 G 0.05 M 0.01 C Shift Assignments>> C :: 178.200 CA :: 59.494 CB :: 33.075 CG :: 24.609 CD :: 28.435 CE :: 43.139 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.459 HA :: 4.134 HB2 :: 1.628 HB3 :: 1.783 HG2 :: 1.361 HG3 :: 1.361 HD2 :: 2.007 HD3 :: 2.007 HE2 :: 3.111 HE3 :: 3.111 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.807 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.3 E 0.15 K 0.02 C Shift Assignments>> C :: 177.700 CA :: 61.138 CB :: 28.414 CG :: 36.786 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.811 HA :: 3.627 HB2 :: 2.072 HB3 :: 2.072 HG2 :: 2.120 HG3 :: 2.212 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.225 Ave N Shift Values>> N :: 120.68(3.68) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.08 G 0.08 C Shift Assignments>> C :: 178.900 CA :: 59.729 CB :: 30.195 CG :: 27.731 CD :: 43.282 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.309 HA :: 3.936 HB2 :: 2.015 HB3 :: 2.015 HG2 :: 1.569 HG3 :: 1.811 HD2 :: 3.241 HD3 :: 3.241 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.732 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.32 R 0.09 G 0.02 C Shift Assignments>> C :: 178.700 CA :: 57.923 CB :: 42.325 CG :: 26.921 CD1 :: 25.293 CD2 :: 23.657 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.594 HA :: 4.184 HB2 :: 1.696 HB3 :: 1.884 HG :: 1.557 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.906 HD22 :: 0.906 HD23 :: 0.906 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.390 Ave N Shift Values>> N :: 121.98(4.07) 1.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 178.200 CA :: 66.313 CB :: 38.286 CG1 :: 30.768 CG2 :: 18.309 CD1 :: 14.078 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.213 HA :: 3.638 HB :: 1.860 HG12 :: 1.061 HG13 :: 1.061 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 HD11 :: 0.551 HD12 :: 0.551 HD13 :: 0.551 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.392 Ave N Shift Values>> N :: 121.6(4.72) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.09 K 0.08 C Shift Assignments>> C :: 178.700 CA :: 60.643 CB :: 29.891 CG :: 26.586 CD :: 43.194 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.269 HA :: 3.804 HB2 :: 1.897 HB3 :: 1.897 HG2 :: 1.477 HG3 :: 1.477 HD2 :: 3.163 HD3 :: 3.163 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.152 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.11 I 0.1 Q 0.08 M 0.05 C Shift Assignments>> C :: 179.500 CA :: 58.953 CB :: 29.791 CG :: 35.599 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.594 HA :: 4.124 HB2 :: 2.178 HB3 :: 2.178 HG2 :: 2.249 HG3 :: 2.249 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.939 Ave N Shift Values>> N :: 120.68(3.68) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 178.000 CA :: 63.477 CB :: 37.622 CG1 :: 28.845 CG2 :: 17.887 CD1 :: 12.334 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.848 HA :: 3.727 HB :: 1.765 HG12 :: 1.378 HG13 :: 1.464 HG21 :: 0.461 HG22 :: 0.461 HG23 :: 0.461 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.959 Ave N Shift Values>> N :: 121.6(4.72) 1.F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 173.800 CA :: 59.446 CB :: 38.580 CG :: 139.708 CD1 :: 131.230 CD2 :: 131.230 CE1 :: 131.244 CE2 :: 131.244 CZ :: 129.054 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.405 HA :: 4.372 HB2 :: 2.840 HB3 :: 3.068 HD1 :: 7.389 HD2 :: 7.389 HE1 :: 7.320 HE2 :: 7.320 HZ :: 7.384 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.212 Ave N Shift Values>> N :: 120.69(4.18) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.31 K 0.15 L 0.12 G 0.02 C Shift Assignments>> C :: 175.700 CA :: 56.747 CB :: 28.948 CG :: 24.723 CD :: 27.544 CE :: 42.504 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.410 HA :: 3.855 HB2 :: 1.727 HB3 :: 1.983 HG2 :: 1.294 HG3 :: 1.294 HD2 :: 1.651 HD3 :: 1.651 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.343 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.700 CA :: 60.052 CB :: 38.865 CG1 :: 27.574 CG2 :: 18.123 CD1 :: 13.381 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.308 HA :: 4.074 HB :: 1.677 HG12 :: 1.415 HG13 :: 1.415 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.563 Ave N Shift Values>> N :: 121.6(4.72) 1.R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.33 K 0.17 G 0.05 C Shift Assignments>> C :: 176.700 CA :: 54.844 CB :: 31.598 CG :: 27.093 CD :: 43.033 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.531 HA :: 4.429 HB2 :: 1.652 HB3 :: 1.774 HG2 :: 1.494 HG3 :: 1.578 HD2 :: 3.090 HD3 :: 3.090 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.648 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.400 CA :: 44.516 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.320 HA2 :: 3.639 HA3 :: 3.930 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.565 Ave N Shift Values>> N :: 109.91(4.29) 1.F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.500 CA :: 57.777 CB :: 39.794 CG :: 138.158 CD1 :: 131.489 CD2 :: 131.533 CE1 :: 129.393 CE2 :: 129.935 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.322 HA :: 4.511 HB2 :: 2.914 HB3 :: 3.087 HD1 :: 7.168 HD2 :: 7.297 HE1 :: 7.290 HE2 :: 7.246 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.495 Ave N Shift Values>> N :: 120.69(4.18) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.21 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.800 CA :: 44.463 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.364 HA2 :: 3.624 HA3 :: 3.972 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.666 Ave N Shift Values>> N :: 109.91(4.29) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.34 C 0.19 C Shift Assignments>> C :: 176.300 CA :: 53.671 CB :: 39.219 CG :: 177.298 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.494 HA :: 4.406 HB2 :: 2.711 HB3 :: 2.711 HD21 :: 7.644 HD22 :: 6.977 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.826 ND2 :: 113.626 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 175.500 CA :: 66.045 CB :: 31.506 CG1 :: 23.156 CG2 :: 20.818 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.736 HA :: 3.436 HB :: 2.047 HG11 :: 0.852 HG12 :: 0.852 HG13 :: 0.852 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.665 Ave N Shift Values>> N :: 121.02(4.96) 1.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.200 CA :: 67.167 CB :: 31.468 CG1 :: 23.138 CG2 :: 20.372 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.620 HA :: 3.155 HB :: 2.036 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.971 Ave N Shift Values>> N :: 121.02(4.96) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.24 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.600 CA :: 59.329 CB :: 28.803 CG :: 36.430 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.433 HA :: 3.667 HB2 :: 1.922 HB3 :: 2.089 HG2 :: 2.170 HG3 :: 2.170 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.667 Ave N Shift Values>> N :: 120.68(3.68) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.35 K 0.26 L 0.01 G 0.01 C Shift Assignments>> C :: 179.600 CA :: 57.829 CB :: 30.480 CG :: 25.971 CD :: 42.239 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.896 HA :: 3.987 HB2 :: 1.733 HB3 :: 1.733 HG2 :: 1.559 HG3 :: 1.559 HD2 :: 3.082 HD3 :: 3.082 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.317 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.900 CA :: 67.243 CB :: 30.752 CG1 :: 24.071 CG2 :: 18.782 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.111 HA :: 2.952 HB :: 1.700 HG11 :: 0.326 HG12 :: 0.326 HG13 :: 0.326 HG21 :: -0.414(S) HG22 :: -0.414(S) HG23 :: -0.414(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.748 Ave N Shift Values>> N :: 121.02(4.96) 1.L139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.37 C Shift Assignments>> C :: 179.500 CA :: 58.171 CB :: 39.422 CG :: 26.499 CD1 :: 24.558 CD2 :: 22.323 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.794 HA :: 3.451 HB2 :: 0.875 HB3 :: 1.556 HG :: 1.563 HD11 :: 0.471 HD12 :: 0.471 HD13 :: 0.471 HD21 :: 0.325 HD22 :: 0.325 HD23 :: 0.325 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.662 Ave N Shift Values>> N :: 121.98(4.07) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.12 K 0.07 M 0.05 Q 0.04 C Shift Assignments>> C :: 178.300 CA :: 58.847 CB :: 30.054 CG :: 36.070 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.624 HA :: 3.894 HB2 :: 1.965 HB3 :: 1.965 HG2 :: 2.117 HG3 :: 2.275 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.664 Ave N Shift Values>> N :: 120.68(3.68) 1.K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.24 M 0.02 G 0.01 C Shift Assignments>> C :: 179.900 CA :: 58.181 CB :: 32.093 CG :: 24.707 CD :: 28.840 CE :: 42.239 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.543 HA :: 4.087 HB2 :: 1.969 HB3 :: 1.969 HG2 :: 1.720 HG3 :: 1.522 HD2 :: 1.709 HD3 :: 1.802 HE2 :: 3.082 HE3 :: 3.082 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.118 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.800 CA :: 64.191 CB :: 37.104 CG2 :: 16.999 CD1 :: 14.567 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.152 HA :: 3.975 HB :: 2.044 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 114.049 Ave N Shift Values>> N :: 121.6(4.72) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 175.200 CA :: 53.934 CB :: 18.518 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.409 HA :: 4.122 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.578 Ave N Shift Values>> N :: 123.23(3.7) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.29 R 0.04 A 0.01 C Shift Assignments>> C :: 177.400 CA :: 55.491 CB :: 41.634 CG :: 26.523 CD1 :: 25.664 CD2 :: 23.514 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.653 HA :: 4.246 HB2 :: 1.543 HB3 :: 1.799 HG :: 1.830 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.054 Ave N Shift Values>> N :: 121.98(4.07) 1.I145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 176.200 CA :: 63.210 CB :: 38.589 CG1 :: 28.104 CG2 :: 17.664 CD1 :: 14.742 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.458 HA :: 3.844 HB :: 1.740 HG12 :: 0.853 HG13 :: 1.518 HG21 :: 0.755 HG22 :: 0.755 HG23 :: 0.755 HD11 :: 0.718 HD12 :: 0.718 HD13 :: 0.718 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.164 Ave N Shift Values>> N :: 121.6(4.72) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.12 K 0.05 I 0.03 Q 0.03 C Shift Assignments>> C :: 178.400 CA :: 56.331 CB :: 30.584 CG :: 36.401 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.723 HA :: 4.162 HB2 :: 1.866 HB3 :: 2.066 HG2 :: 2.122 HG3 :: 2.122 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.215 Ave N Shift Values>> N :: 120.68(3.68) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.27 R 0.04 G 0.02 A 0.01 C Shift Assignments>> C :: 176.900 CA :: 55.190 CB :: 42.508 CG :: 26.499 CD1 :: 24.697 CD2 :: 23.552 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.894 HA :: 4.253 HB2 :: 1.577 HB3 :: 1.577 HG :: 1.563 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.236 Ave N Shift Values>> N :: 121.98(4.07) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.18 M 0.03 C Shift Assignments>> C :: 175.900 CA :: 56.077 CB :: 33.003 CG :: 24.624 CD :: 29.008 CE :: 42.130 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.065 HA :: 4.267 HB2 :: 1.649 HB3 :: 1.773 HG2 :: 1.335 HG3 :: 1.335 HD2 :: 1.633 HD3 :: 1.633 HE2 :: 2.938 HE3 :: 2.938 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.285 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K149 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.17 M 0.03 C Shift Assignments>> C :: 175.400 CA :: 56.253 CB :: 33.141 CG :: 24.627 CD :: 28.987 CE :: 42.139 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.340 HA :: 4.251 HB2 :: 1.755 HB3 :: 1.755 HG2 :: 1.374 HG3 :: 1.625 HD2 :: 2.935(S) HD3 :: 2.935(S) HE2 :: 2.926 HE3 :: 2.926 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.084 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HD2 : 0.9981) (HE3 > HD2 : 0.9989) (HE2 > HD3 : 0.9989) (HE3 > HD3 : 0.9989) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 W 0.14 R 0.13 E 0.12 H 0.1 M 0.1 K 0.1 Q 0.07 V 0.04 I 0.02 C Shift Assignments>> C :: 180.800 CA :: 57.981 CB :: 31.322 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.930 HA :: 4.051 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.157 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 144 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 149 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 149 #Suspicious: 1 C Shift Results: #Consistent: 699 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1106 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 154 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R9 HD2 = 2.284(S), Expected = 3.13, Std = 0.2300, ChiSquare = 2.3483e-04 1.I20 HG12 = -0.103(S), Expected = 1.30, Std = 0.4000, ChiSquare = 4.5234e-04 1.I79 CB = 45.181(A), Expected = 38.58, Std = 2.0900, ChiSquare = 1.5865e-03 1.I99 HD11 = -0.359(S), Expected = 0.70, Std = 0.3000, ChiSquare = 4.1556e-04 1.I99 HD12 = -0.359(S), Expected = 0.70, Std = 0.3000, ChiSquare = 4.1556e-04 1.I99 HD13 = -0.359(S), Expected = 0.70, Std = 0.3000, ChiSquare = 4.1556e-04 1.V138 HG21 = -0.414(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.7895e-05 1.V138 HG22 = -0.414(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.7895e-05 1.V138 HG23 = -0.414(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.7895e-05 1.K149 HD2 = 2.935(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.1580e-07 1.K149 HD3 = 2.935(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.1580e-07 1.K149 SRO Rule Break>> HE2 > HD2 : 0.998085513720485 1.K149 SRO Rule Break>> HE3 > HD2 : 0.998931243320271 1.K149 SRO Rule Break>> HE2 > HD3 : 0.99894142554693 1.K149 SRO Rule Break>> HE3 > HD3 : 0.998948106591865