Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.42 F 0.33 C 0.24 C Shift Assignments>> C :: 176.683 CA :: 59.862 CB :: 38.696 CD1 :: 131.902 CE1 :: 132.078 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HA :: 4.886 HB2 :: 3.422 HB3 :: 2.960 HD1 :: 7.491 HD2 :: 7.491 HE1 :: 7.666 HE2 :: 7.666 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.47 K 0.03 G 0.01 C Shift Assignments>> C :: 179.632 CA :: 58.504 CB :: 42.081 CD1 :: 26.119 CD2 :: 23.117 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.791 HA :: 4.765 HB2 :: 1.915 HB3 :: 1.647 HD11 :: 1.017 HD12 :: 1.017 HD13 :: 1.017 HD21 :: 0.977 HD22 :: 0.977 HD23 :: 0.977 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.266 Ave N Shift Values>> N :: 121.86(3.9) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.43 K 0.07 G 0.01 C Shift Assignments>> C :: 177.520 CA :: 58.573 CB :: 42.184 CD1 :: 26.077 CD2 :: 24.472 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.444 HA :: 4.116 HB2 :: 2.078 HB3 :: 1.625 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.919 HD22 :: 0.919 HD23 :: 0.919 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.785 Ave N Shift Values>> N :: 121.86(3.9) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.29 E 0.25 K 0.02 C Shift Assignments>> C :: 176.952 CA :: 60.300 CB :: 29.515 CG :: 36.901 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.027 HA :: 3.677 HB2 :: 2.425 HB3 :: 2.309 HG2 :: 2.622 HG3 :: 2.412 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.256 Ave N Shift Values>> N :: 120.67(3.48) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 175.925 CA :: 62.318 CB :: 39.773 CD1 :: 133.183 CE1 :: 118.581 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.729 HA :: 4.286 HB2 :: 3.386 HB3 :: 3.225 HD1 :: 7.082 HD2 :: 7.082 HE1 :: 6.952 HE2 :: 6.952 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.478 Ave N Shift Values>> N :: 120.52(4.2) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.668 CA :: 67.764 CB :: 68.546 CG2 :: 22.814 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.303 HA :: 3.547 HB :: 4.395 HG21 :: 1.372 HG22 :: 1.372 HG23 :: 1.372 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.405 Ave N Shift Values>> N :: 115.42(4.75) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 Y 0.22 HN Overlap>> 1.A169 1.A169 C Shift Assignments>> C :: 175.157 CA :: 61.546 CB :: 37.788 CE1 :: 120.114 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.135 HA :: 3.042 HB2 :: 2.746 HB3 :: 2.104 HD1 :: 6.664 HD2 :: 6.664 HE1 :: 7.102 HE2 :: 7.102 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.258 Ave N Shift Values>> N :: 120.52(4.2) 1.W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 W 0.34 C Shift Assignments>> C :: 180.724 CA :: 58.790 CB :: 30.074 CD1 :: 129.898 CE3 :: 119.522 CZ2 :: 114.851 CZ3 :: 122.919 CH2 :: 124.990 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.197 HA :: 4.010 HB2 :: 3.109 HB3 :: 2.980 HD1 :: 7.442 HE1 :: 11.091 HE3 :: 7.102 HZ2 :: 7.756 HZ3 :: 7.139 HH2 :: 7.556 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 115.688 NE1 :: 129.825 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.33 V 0.06 R 0.03 C Shift Assignments>> C :: 180.165 CA :: 58.476 CB :: 31.089 CG :: 24.012 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.282 HA :: 4.109 HG2 :: 1.217 HG3 :: 1.217 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.685 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.44 C Shift Assignments>> C :: 176.897 CA :: 61.709 CB :: 34.886 CG1 :: 28.162 CG2 :: 17.333 CD1 :: 11.555 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.915 HA :: 3.331 HB :: 1.454 HG12 :: 0.594 HG13 :: 0.404 HG21 :: 0.104 HG22 :: 0.104 HG23 :: 0.104 HD11 :: -0.129 HD12 :: -0.129 HD13 :: -0.129 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.108 Ave N Shift Values>> N :: 121.46(4.28) 1.A12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.71 A 0.17 I 0.08 C 0.02 HN Overlap>> 1.M120 1.M120 C Shift Assignments>> C :: 178.672 CA :: 56.014 CB :: 17.438 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.301 HA :: 3.325 HB1 :: 0.399(S) HB2 :: 0.399(S) HB3 :: 0.399(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.725 Ave N Shift Values>> N :: 123.23(3.54) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.42 C 0.04 I 0.04 V 0.01 C Shift Assignments>> C :: 178.335 CA :: 55.516 CB :: 18.810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.495 HA :: 4.192 HB1 :: 1.700 HB2 :: 1.700 HB3 :: 1.700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.869 Ave N Shift Values>> N :: 123.23(3.54) 1.H14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.37 H 0.25 HN Overlap>> 1.M149 1.M149 C Shift Assignments>> C :: 178.698 CA :: 59.718 CB :: 30.577 CD2 :: 120.532 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.236 HA :: 4.514 HB2 :: 3.453 HB3 :: 3.379 HD2 :: 6.422 HE1 :: 8.867 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.397 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 L 0.18 A 0.04 C Shift Assignments>> C :: 180.291 CA :: 58.005 CB :: 39.504 CG :: 26.362 CD1 :: 26.247 CD2 :: 20.729 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.424 HA :: 3.644 HB2 :: 1.600 HB3 :: 0.512 HG :: 1.466 HD11 :: 0.239 HD12 :: 0.239 HD13 :: 0.239 HD21 :: 0.199 HD22 :: 0.199 HD23 :: 0.199 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.188 Ave N Shift Values>> N :: 121.86(3.9) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 180.157 CA :: 66.629 CB :: 31.545 CG1 :: 24.337 CG2 :: 21.862 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.086 HA :: 4.525 HB :: 2.328 HG11 :: 1.219 HG12 :: 1.219 HG13 :: 1.219 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.483 Ave N Shift Values>> N :: 121.14(4.54) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 N 0.19 F 0.18 C 0.16 D 0.11 L 0.05 E 0.03 I 0.03 M 0.01 C Shift Assignments>> C :: 176.555 CA :: 55.657 CB :: 38.566 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.800 HA :: 4.738 HB2 :: 3.008 HB3 :: 3.008 HD21 :: 7.631 HD22 :: 6.692 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.513 ND2 :: 111.388 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.825 CA :: 58.450 CB :: 63.454 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.781 HA :: 4.754 HB2 :: 4.160 HB3 :: 4.160 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.455 Ave N Shift Values>> N :: 116.28(3.52) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.903 CA :: 45.279 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.971 HA2 :: 4.522 HA3 :: 3.870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.991 Ave N Shift Values>> N :: 109.67(3.87) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 175.904 CA :: 58.482 CB :: 38.296 CD1 :: 133.553 CE1 :: 118.167 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.472 HA :: 4.765 HB2 :: 2.715 HB3 :: 2.715 HD1 :: 7.127 HD2 :: 7.127 HE1 :: 6.941 HE2 :: 6.941 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.605 Ave N Shift Values>> N :: 120.52(4.2) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.272 CA :: 44.160 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.984 HA2 :: 4.653 HA3 :: 3.910 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.851 Ave N Shift Values>> N :: 109.67(3.87) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 176.278 CA :: 64.202 CB :: 32.116 CG1 :: 23.313 CG2 :: 22.087 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.248 HA :: 4.351 HB :: 2.226 HG11 :: 1.130 HG12 :: 1.130 HG13 :: 1.130 HG21 :: 1.080 HG22 :: 1.080 HG23 :: 1.080 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.478 Ave N Shift Values>> N :: 121.14(4.54) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.939 CA :: 62.178 CB :: 39.237 CG1 :: 27.745 CG2 :: 17.382 CD1 :: 14.137 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.875 HA :: 4.346 HB :: 1.812 HG12 :: 1.643 HG13 :: 1.153 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.150 Ave N Shift Values>> N :: 121.46(4.28) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.33 Q 0.18 E 0.08 K 0.01 C Shift Assignments>> C :: 174.031 CA :: 56.453 CB :: 32.001 CG :: 34.105 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.009 HA :: 4.751 HB2 :: 2.158 HB3 :: 2.158 HG2 :: 2.424 HG3 :: 2.424 HE22 :: 6.818 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.138 NE2 :: 111.189 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 L 0.16 C 0.06 M 0.01 C Shift Assignments>> C :: 176.381 CA :: 52.334 CB :: 21.389 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.921 HA :: 4.959 HB1 :: 1.650 HB2 :: 1.650 HB3 :: 1.650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.846 Ave N Shift Values>> N :: 123.23(3.54) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.492 CA :: 46.026 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.690 HA2 :: 4.417 HA3 :: 4.139 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.180 Ave N Shift Values>> N :: 109.67(3.87) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.36 M 0.1 K 0.04 Q 0.03 I 0.02 C Shift Assignments>> C :: 177.028 CA :: 56.622 CB :: 30.380 CG :: 36.499 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.948 HA :: 4.699 HB2 :: 2.405 HB3 :: 2.196 HG2 :: 2.512 HG3 :: 2.439 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.578 Ave N Shift Values>> N :: 120.67(3.48) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.626 CA :: 59.337 CB :: 63.896 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.712 HA :: 4.688 HB2 :: 4.193 HB3 :: 4.147 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.242 Ave N Shift Values>> N :: 116.28(3.52) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 F 0.12 K 0.11 Y 0.09 N 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 174.056 CA :: 55.008 CB :: 41.046 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.503 HA :: 4.757 HB2 :: 3.322 HB3 :: 3.224 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.462 Ave N Shift Values>> N :: 120.65(3.86) 1.E30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 M 0.34 E 0.08 Q 0.02 C Shift Assignments>> C :: 174.967 CA :: 54.403 CB :: 33.663 CG :: 35.423 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.692 HA :: 5.764(S) HB2 :: 2.021 HB3 :: 1.864 HG2 :: 2.465 HG3 :: 2.327 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.656 Ave N Shift Values>> N :: 120.67(3.48) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.26 G 0.12 HN Overlap>> 1.A150 1.A150 C Shift Assignments>> C :: 175.178 CA :: 60.672 CB :: 43.233 CG1 :: 27.675 CG2 :: 17.716 CD1 :: 15.351 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.200 HA :: 4.798 HB :: 1.387 HG12 :: 1.780 HG13 :: 1.087 HG21 :: 1.020 HG22 :: 1.020 HG23 :: 1.020 HD11 :: 0.173 HD12 :: 0.173 HD13 :: 0.173 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.845 Ave N Shift Values>> N :: 121.46(4.28) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.44 C Shift Assignments>> C :: 176.064 CA :: 56.600 CB :: 31.887 CD1 :: 124.954 CE3 :: 118.417 CZ2 :: 115.788 CZ3 :: 121.891 CH2 :: 123.765 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.241 HA :: 5.439 HB2 :: 3.162 HB3 :: 3.094 HD1 :: 7.039 HE1 :: 9.800 HE3 :: 7.296 HZ2 :: 7.751 HZ3 :: 6.894 HH2 :: 7.042 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.925 NE1 :: 128.909 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.42 L 0.04 C Shift Assignments>> C :: 175.185 CA :: 53.830 CB :: 46.559 CG :: 27.735 CD1 :: 27.724 CD2 :: 26.443 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.905 HA :: 5.763 HB2 :: 1.903 HB3 :: 1.846 HG :: 1.654 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.341 Ave N Shift Values>> N :: 121.86(3.9) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.29 E 0.28 Q 0.02 C Shift Assignments>> C :: 175.444 CA :: 55.219 CB :: 32.026 CG :: 36.296 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.935 HA :: 4.947 HB2 :: 2.151 HB3 :: 2.022 HG2 :: 2.410 HG3 :: 2.410 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.080 Ave N Shift Values>> N :: 120.67(3.48) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> CA :: 50.622 CB :: 19.445 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.023 HA :: 3.951 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.269 Ave N Shift Values>> N :: 123.23(3.54) 1.P36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.63 C 0.35 C Shift Assignments>> C :: 176.652 CA :: 62.470 CB :: 32.127 CG :: 26.841 CD :: 49.276 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.543 HB2 :: 1.943 HB3 :: 2.313 HG2 :: 1.819 HG3 :: 1.725 HD2 :: 2.769 HD3 :: 2.272(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.18 F 0.12 Y 0.09 C 0.06 R 0.03 N 0.03 C Shift Assignments>> C :: 176.325 CA :: 55.675 CB :: 41.462 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.309 HA :: 4.533 HB2 :: 2.786 HB3 :: 2.680 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.751 Ave N Shift Values>> N :: 120.65(3.86) 1.K38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.24 R 0.24 L 0.01 HN Overlap>> 1.D95 1.D95 C Shift Assignments>> C :: 176.708 CA :: 57.294 CB :: 29.983 CG :: 25.325 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.418 HA :: 4.206 HB2 :: 2.064 HB3 :: 2.064 HG2 :: 1.465 HG3 :: 1.465 HD2 :: 3.113(S) HD3 :: 3.113(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.972 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 HN Overlap>> 1.S143 1.S143 C Shift Assignments>> C :: 174.701 CA :: 57.071 CB :: 65.996 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.886 HA :: 4.351 HB2 :: 4.336 HB3 :: 4.106 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.076 Ave N Shift Values>> N :: 116.28(3.52) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.105 CA :: 60.067 CB :: 63.374 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.295 HB2 :: 3.919 HB3 :: 3.856 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.H41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.33 C 0.28 C Shift Assignments>> C :: 173.056 CA :: 55.475 CB :: 31.797 CD2 :: 120.970 CE1 :: 138.388 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.272 HA :: 4.598 HB2 :: 2.971 HB3 :: 3.334 HD2 :: 6.668 HE1 :: 7.929 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.854 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.19 C 0.07 R 0.06 F 0.03 Y 0.01 D 0.01 C Shift Assignments>> C :: 176.909 CA :: 56.952 CB :: 45.106 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.759 HA :: 4.969 HB2 :: 2.982 HB3 :: 2.848 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.744 Ave N Shift Values>> N :: 120.65(3.86) 1.L43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 A 0.08 G 0.01 HN Overlap>> 1.Q148 1.Q148 C Shift Assignments>> C :: 174.912 CA :: 52.942 CB :: 49.438(S) CG :: 27.595 CD1 :: 27.738 CD2 :: 24.141 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.283 HA :: 5.700 HB2 :: 1.885 HB3 :: 1.758 HG :: 1.765 HD11 :: 1.227 HD12 :: 1.227 HD13 :: 1.227 HD21 :: 1.249 HD22 :: 1.249 HD23 :: 1.249 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.675 Ave N Shift Values>> N :: 121.86(3.9) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.2 C Shift Assignments>> C :: 172.745 CA :: 60.752 CB :: 36.429 CG1 :: 23.360 CG2 :: 21.667 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.344 HA :: 4.999 HB :: 1.895 HG11 :: 1.125 HG12 :: 1.125 HG13 :: 1.125 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 121.14(4.54) 1.R45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.25 C 0.18 K 0.13 H 0.11 R 0.11 Q 0.09 W 0.06 E 0.02 C Shift Assignments>> C :: 173.739 CA :: 53.150 CB :: 32.530 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.779 HA :: 4.915 HB2 :: 1.341 HB3 :: -0.020(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.652 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.17 A 0.11 C Shift Assignments>> C :: 176.149 CA :: 52.697 CB :: 41.686 CG :: 26.357 CD1 :: 22.974 CD2 :: 25.188 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.828 HA :: 5.041 HB2 :: 1.649 HB3 :: 1.069 HG :: 1.381 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 HD21 :: 0.215 HD22 :: 0.215 HD23 :: 0.215 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.459 Ave N Shift Values>> N :: 121.86(3.9) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 173.228 CA :: 53.968 CB :: 39.855 CD1 :: 132.477 CE1 :: 117.907 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.662 HA :: 5.801 HB2 :: 2.867 HB3 :: 2.461 HD1 :: 7.096 HD2 :: 7.096 HE1 :: 6.644 HE2 :: 6.644 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 129.303 Ave N Shift Values>> N :: 120.52(4.2) 1.K48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 K 0.25 R 0.03 C Shift Assignments>> C :: 173.132 CA :: 55.069 CB :: 30.436 CD :: 28.234 CE :: 40.488 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.881 HA :: 4.616 HB2 :: 1.392 HB3 :: 0.227(S) HG2 :: 0.949 HG3 :: 0.825 HD2 :: 1.221 HD3 :: 0.353(S) HE2 :: 2.538 HE3 :: 2.513 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 132.237 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.34 C 0.27 C Shift Assignments>> C :: 171.954 CA :: 55.804 CB :: 30.117 CD2 :: 119.619 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.841 HA :: 4.209 HB2 :: 2.141 HB3 :: 1.962 HD2 :: 6.704 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 126.490 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.23 F 0.13 L 0.12 Y 0.12 C 0.08 C Shift Assignments>> C :: 175.195 CA :: 54.572 CB :: 39.807 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.144 HA :: 4.861 HB2 :: 2.744 HB3 :: 2.365 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.998 Ave N Shift Values>> N :: 120.65(3.86) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.35 C 0.13 A 0.02 C Shift Assignments>> C :: 175.246 CA :: 53.775 CB :: 44.955 CG :: 25.849 CD1 :: 25.659 CD2 :: 23.556 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.564 HA :: 4.324 HB2 :: 1.499 HB3 :: 0.997 HG :: 1.751 HD11 :: 0.477 HD12 :: 0.477 HD13 :: 0.477 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.210 Ave N Shift Values>> N :: 121.86(3.9) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.26 K 0.12 D 0.11 F 0.07 C 0.05 Y 0.05 G 0.02 C Shift Assignments>> C :: 175.341 CA :: 55.911 CB :: 42.903 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.077 HA :: 4.596 HB2 :: 2.467 HB3 :: 2.066 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.627 Ave N Shift Values>> N :: 120.65(3.86) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.34 C 0.15 G 0.14 C Shift Assignments>> C :: 177.453 CA :: 56.686 CB :: 43.438 CD1 :: 132.658 CE1 :: 131.540 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.202 HA :: 5.321 HB2 :: 3.916 HB3 :: 2.810 HD1 :: 7.392 HD2 :: 7.392 HE1 :: 7.410 HE2 :: 7.410 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.734 Ave N Shift Values>> N :: 120.45(4.18) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.48 G 0.26 R 0.24 C Shift Assignments>> C :: 178.537 CA :: 59.955 CB :: 29.482 CG :: 26.861 CD :: 44.287 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.009 HB2 :: 2.035 HB3 :: 1.969 HG2 :: 1.972 HG3 :: 1.664 HD2 :: 3.207 HD3 :: 3.182 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.22 R 0.12 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 177.774 CA :: 58.617 CB :: 27.930 CG :: 33.462 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.471 HA :: 4.202 HB2 :: 2.315 HB3 :: 2.095 HG2 :: 2.563 HG3 :: 2.563 HE21 :: 7.469 HE22 :: 6.924 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.988 NE2 :: 111.124 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.27 I 0.12 M 0.04 HN Overlap>> 1.V171 1.V171 C Shift Assignments>> C :: 180.049 CA :: 59.059 CB :: 30.805 CG :: 37.648 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.845 HA :: 4.227 HB2 :: 2.578 HB3 :: 2.269 HG2 :: 2.619 HG3 :: 2.573 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.548 Ave N Shift Values>> N :: 120.67(3.48) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.4 C Shift Assignments>> C :: 177.161 CA :: 59.182 CB :: 34.001 CG :: 32.507 CE :: 16.687 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.448 HA :: 4.017 HB2 :: 2.160 HB3 :: 2.160 HG2 :: 2.163 HG3 :: 1.766 HE1 :: 1.791 HE2 :: 1.791 HE3 :: 1.791 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.036 Ave N Shift Values>> N :: 120.09(3.57) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.584 CA :: 67.134 CB :: 32.180 CG1 :: 23.123 CG2 :: 21.156 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.807 HA :: 3.507 HB :: 2.186 HG11 :: 1.192 HG12 :: 1.192 HG13 :: 1.192 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.577 Ave N Shift Values>> N :: 121.14(4.54) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.41 K 0.06 P 0.01 C Shift Assignments>> C :: 178.759 CA :: 59.227 CB :: 30.048 CG :: 27.152 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.227 HA :: 4.179 HB2 :: 2.046 HB3 :: 1.982 HG2 :: 1.889 HG3 :: 1.788 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.853 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.14 F 0.12 G 0.11 C 0.1 Y 0.08 K 0.04 I 0.01 D 0.01 C Shift Assignments>> C :: 178.470 CA :: 58.949 CB :: 43.587 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.562 HA :: 4.454 HB2 :: 3.060 HB3 :: 2.913 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.434 Ave N Shift Values>> N :: 120.65(3.86) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 HN Overlap>> 1.N174 1.N174 C Shift Assignments>> C :: 177.217 CA :: 66.875 CB :: 38.374 CG1 :: 31.242 CG2 :: 17.170 CD1 :: 15.013 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.437 HA :: 3.346 HB :: 1.936 HG12 :: 2.257 HG13 :: 0.917 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 HD11 :: 1.000 HD12 :: 1.000 HD13 :: 1.000 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.171 Ave N Shift Values>> N :: 121.46(4.28) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.28 I 0.26 K 0.03 HN Overlap>> 1.D136 1.D136 C Shift Assignments>> C :: 180.074 CA :: 60.053 CB :: 29.429 CG :: 36.757 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.039 HA :: 3.694 HB2 :: 2.156 HB3 :: 2.047 HG2 :: 2.463 HG3 :: 2.007 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.710 Ave N Shift Values>> N :: 120.67(3.48) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.21 K 0.05 Q 0.02 C Shift Assignments>> C :: 180.105 CA :: 59.562 CB :: 29.207 CG :: 36.468 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.207 HA :: 4.182 HB2 :: 2.279 HB3 :: 2.137 HG2 :: 2.445 HG3 :: 2.278 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.352 Ave N Shift Values>> N :: 120.67(3.48) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.32 K 0.23 Q 0.05 M 0.01 C Shift Assignments>> C :: 179.133 CA :: 56.868 CB :: 26.332 CG :: 31.864 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.804 HA :: 4.472 HB2 :: 2.100 HB3 :: 1.842 HG2 :: 2.833 HG3 :: 1.974 HE21 :: 6.974 HE22 :: 6.693 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.419 NE2 :: 115.055 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.27 I 0.06 C 0.03 C Shift Assignments>> C :: 179.650 CA :: 55.770 CB :: 18.021 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.375 HA :: 3.945 HB1 :: 1.693 HB2 :: 1.693 HB3 :: 1.693 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.948 Ave N Shift Values>> N :: 123.23(3.54) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.13 K 0.08 Q 0.05 M 0.01 C Shift Assignments>> C :: 179.322 CA :: 59.257 CB :: 29.399 CG :: 36.004 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.426 HA :: 4.187 HB2 :: 1.687 HB3 :: 2.287 HG2 :: 2.553 HG3 :: 2.457 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.532 Ave N Shift Values>> N :: 120.67(3.48) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.15 V 0.12 R 0.1 E 0.09 H 0.08 K 0.07 M 0.05 Q 0.04 I 0.02 P 0.01 C Shift Assignments>> C :: 179.391 CA :: 59.929 CB :: 31.201 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.837 HA :: 4.072 HB2 :: 2.086 HB3 :: 2.086 HG2 :: 1.563 HG3 :: 1.563 HD2 :: 3.313 HD3 :: 3.313 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.128 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.08 C Shift Assignments>> C :: 176.975 CA :: 66.490 CB :: 31.279 CG1 :: 25.731 CG2 :: 23.837 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.953 HA :: 3.661 HB :: 2.317 HG11 :: 1.384 HG12 :: 1.384 HG13 :: 1.384 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.672 Ave N Shift Values>> N :: 121.14(4.54) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.13 K 0.12 I 0.11 Q 0.11 R 0.1 E 0.1 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 177.861 CA :: 58.705 CB :: 28.217 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.183 HA :: 4.447 HB2 :: 2.323 HB3 :: 2.138 HG2 :: 2.557 HG3 :: 2.557 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.484 Ave N Shift Values>> N :: 120.67(3.48) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.12 R 0.09 H 0.08 I 0.08 Q 0.07 K 0.06 V 0.05 M 0.02 HN Overlap>> 1.R77 1.R77 C Shift Assignments>> C :: 179.698 CA :: 59.838 CB :: 29.976 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.418 HA :: 4.215 HB2 :: 2.104 HB3 :: 1.971 HG2 :: 1.719 HG3 :: 1.719 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.406 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.131 CA :: 66.140 CB :: 31.809 CG1 :: 22.395 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.588 HA :: 3.736 HB :: 2.199 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.237 Ave N Shift Values>> N :: 121.14(4.54) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 I 0.21 W 0.15 E 0.08 K 0.08 H 0.06 R 0.05 Q 0.05 V 0.03 P 0.01 M 0.01 C Shift Assignments>> C :: 178.785 CA :: 60.543 CB :: 29.107 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.076 HA :: 3.762 HB2 :: 2.145 HB3 :: 1.778 HD2 :: 3.094 HD3 :: 2.736 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.527 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.37 H 0.25 HN Overlap>> 1.D95 1.D95 C Shift Assignments>> C :: 178.447 CA :: 59.625 CB :: 30.378 CD2 :: 119.892 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.326 HA :: 4.324 HB2 :: 3.333 HB3 :: 3.333 HD2 :: 7.216 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.879 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.24 E 0.08 R 0.04 I 0.02 M 0.01 HN Overlap>> 1.C137 1.C137 C Shift Assignments>> C :: 178.096 CA :: 58.794 CB :: 28.727 CG :: 34.072 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.051 HA :: 4.088 HB2 :: 2.364 HB3 :: 2.264 HG2 :: 2.587 HG3 :: 2.486 HE21 :: 7.386 HE22 :: 6.861 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.915 NE2 :: 110.713 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.18 G 0.11 A 0.08 C Shift Assignments>> C :: 178.006 CA :: 55.368 CB :: 43.388 CD1 :: 23.919 CD2 :: 22.297 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.242 HA :: 4.380 HB2 :: 1.747 HB3 :: 1.678 HG :: 1.901 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.163 Ave N Shift Values>> N :: 121.86(3.9) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.533 CA :: 46.546 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.017 HA2 :: 4.045 HA3 :: 3.941 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.170 Ave N Shift Values>> N :: 109.67(3.87) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.29 K 0.24 G 0.02 HN Overlap>> 1.R70 1.R70 C Shift Assignments>> C :: 176.388 CA :: 54.279 CB :: 32.091 CG :: 27.630 CD :: 42.650 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.451 HA :: 4.596 HB2 :: 2.093 HB3 :: 1.671 HG2 :: 1.825 HG3 :: 1.717 HD2 :: 3.424 HD3 :: 3.349 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.349 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.13 R 0.13 H 0.11 Q 0.08 K 0.07 M 0.06 V 0.03 I 0.01 C Shift Assignments>> C :: 176.592 CA :: 58.556 CB :: 30.750 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.831 HA :: 4.188 HB2 :: 1.990 HB3 :: 1.990 HE :: 8.561 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.983 NE :: 81.301 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.29 R 0.18 K 0.14 E 0.01 M 0.01 C Shift Assignments>> C :: 175.043 CA :: 54.604 CB :: 33.775 CG :: 26.794 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.760 HA :: 5.027 HB2 :: 1.954 HB3 :: 1.907 HG2 :: 1.650 HG3 :: 1.614 HD2 :: 3.245 HD3 :: 3.245 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.198 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 A 0.26 M 0.01 HN Overlap>> 1.D123 1.N146 1.D123 1.N146 C Shift Assignments>> C :: 173.793 CA :: 56.227 CB :: 39.605 CG :: 34.325 CE :: 18.523 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.079 HA :: 4.977 HB2 :: 2.014 HB3 :: 1.808 HG2 :: 2.566 HG3 :: 2.434 HE1 :: 2.124 HE2 :: 2.124 HE3 :: 2.124 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.692 Ave N Shift Values>> N :: 120.09(3.57) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.29 E 0.04 Q 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 175.409 CA :: 55.347 CB :: 35.838 CG :: 25.388 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 10.138 HA :: 5.512 HB2 :: 2.072 HB3 :: 1.913 HG2 :: 1.550 HG3 :: 1.424 HE2 :: 3.005 HE3 :: 3.005 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.964 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.36 L 0.14 C Shift Assignments>> C :: 174.369 CA :: 53.133 CB :: 46.961 CG :: 25.717 CD1 :: 26.248 CD2 :: 25.665 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.246 HA :: 5.279 HB2 :: 2.095 HB3 :: 1.497 HG :: 1.384 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.538 Ave N Shift Values>> N :: 121.86(3.9) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.27 A 0.16 R 0.06 G 0.02 C Shift Assignments>> C :: 173.243 CA :: 54.488 CB :: 42.354 CG :: 26.756 CD1 :: 22.028 CD2 :: 25.511 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.702 HA :: 5.064 HB2 :: 1.695 HB3 :: 0.478 HG :: 1.131 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 HD21 :: 0.466 HD22 :: 0.466 HD23 :: 0.466 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.640 Ave N Shift Values>> N :: 121.86(3.9) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.28 R 0.08 K 0.08 N 0.07 C 0.04 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 171.620 CA :: 52.217 CB :: 42.301 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.990 HA :: 4.928 HB2 :: 2.549 HB3 :: 1.855 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 129.631 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 174.613 CA :: 61.730 CB :: 32.695 CG1 :: 23.343 CG2 :: 21.106 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.019 HA :: 4.472 HB :: 2.409 HG11 :: 0.549 HG12 :: 0.549 HG13 :: 0.549 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.617 Ave N Shift Values>> N :: 121.14(4.54) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 F 0.31 C 0.2 C Shift Assignments>> C :: 175.045 CA :: 57.738 CB :: 40.629 CD1 :: 133.368 CE1 :: 130.057 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.998 HA :: 5.133 HB2 :: 3.139 HB3 :: 3.037 HD1 :: 7.646 HD2 :: 7.646 HE1 :: 7.351 HE2 :: 7.351 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.339 Ave N Shift Values>> N :: 120.45(4.18) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.27 C 0.23 C Shift Assignments>> C :: 174.339 CA :: 56.732 CB :: 39.251 CD1 :: 131.525 CE1 :: 130.675 CZ :: 128.480 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.332 HA :: 5.299 HB2 :: 2.972 HB3 :: 2.462 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 7.072 HE2 :: 7.072 HZ :: 6.927 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.665 Ave N Shift Values>> N :: 120.45(4.18) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.761 CA :: 56.067 CB :: 65.729 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.427 HA :: 4.799 HB2 :: 3.633 HB3 :: 3.386 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.060 Ave N Shift Values>> N :: 116.28(3.52) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.383 CA :: 69.968 CB :: 68.326 CG2 :: 21.669 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.981 HA :: 3.582 HB :: 4.006 HG21 :: 1.307 HG22 :: 1.307 HG23 :: 1.307 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 127.572 Ave N Shift Values>> N :: 115.42(4.75) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.26 E 0.09 C Shift Assignments>> C :: 175.865 CA :: 53.615 CB :: 33.559 CG :: 36.514 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.995 HA :: 4.667 HB2 :: 2.181 HB3 :: 1.874 HG2 :: 2.286 HG3 :: 2.188 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.287 Ave N Shift Values>> N :: 120.67(3.48) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 174.802 CA :: 50.169 CB :: 17.615 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.495 HA :: 3.872 HB1 :: 0.950 HB2 :: 0.950 HB3 :: 0.950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.963 Ave N Shift Values>> N :: 123.23(3.54) 1.P92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.59 C 0.39 G 0.01 C Shift Assignments>> C :: 174.923 CA :: 62.756 CB :: 31.872 CG :: 27.641 CD :: 48.782 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.070 HB2 :: 1.944 HB3 :: 1.865 HG2 :: 1.597 HG3 :: 1.439 HD2 :: 2.843 HD3 :: 2.065(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 176.309 CA :: 62.944 CB :: 32.449 CG1 :: 19.496 CG2 :: 21.402 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.891 HA :: 4.212 HB :: 2.348 HG11 :: 0.966 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.444 Ave N Shift Values>> N :: 121.14(4.54) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.28 L 0.08 C 0.06 F 0.05 Y 0.04 HN Overlap>> 1.E178 1.E178 C Shift Assignments>> C :: 176.068 CA :: 52.135 CB :: 39.872 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.472 HA :: 5.005 HB2 :: 3.237 HB3 :: 2.928 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.755 Ave N Shift Values>> N :: 120.65(3.86) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 D 0.19 Y 0.16 F 0.16 C 0.11 L 0.08 I 0.01 HN Overlap>> 1.K38 1.H73 1.K38 1.H73 C Shift Assignments>> C :: 176.444 CA :: 55.097 CB :: 39.147 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.417 HA :: 4.818 HB2 :: 2.881 HB3 :: 2.705 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.920 Ave N Shift Values>> N :: 120.65(3.86) 1.W96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> C :: 177.189 CA :: 57.294 CB :: 30.020 CD1 :: 128.883 CE3 :: 120.102 CZ2 :: 115.035 CZ3 :: 121.931 CH2 :: 124.629 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.425 HA :: 4.437 HB2 :: 3.579 HB3 :: 2.806 HD1 :: 7.849 HE1 :: 10.330 HE3 :: 7.238 HZ2 :: 7.521 HZ3 :: 6.970 HH2 :: 7.154 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.656 NE1 :: 131.944 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.39 C 0.36 E 0.18 K 0.03 Q 0.01 C Shift Assignments>> C :: 178.202 CA :: 60.980 CB :: 28.773 CG :: 36.362 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.179 HA :: 3.041 HB2 :: 1.541 HB3 :: 1.486 HG2 :: 1.366(S) HG3 :: 0.972(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.493 Ave N Shift Values>> N :: 120.67(3.48) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 I 0.1 K 0.06 Q 0.04 M 0.03 C Shift Assignments>> C :: 178.418 CA :: 58.817 CB :: 29.809 CG :: 36.242 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.852 HA :: 3.987 HB2 :: 2.097 HB3 :: 1.958 HG2 :: 2.364 HG3 :: 2.259 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.181 Ave N Shift Values>> N :: 120.67(3.48) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 177.238 CA :: 61.341 CB :: 37.283 CG1 :: 28.336 CG2 :: 18.724 CD1 :: 11.595 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.427 HA :: 4.130 HB :: 2.329 HG12 :: 1.577 HG13 :: 1.541 HG21 :: 1.043 HG22 :: 1.043 HG23 :: 1.043 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.384 Ave N Shift Values>> N :: 121.46(4.28) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 HN Overlap>> 1.V158 1.V158 C Shift Assignments>> C :: 177.052 CA :: 53.871 CB :: 19.100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.805 HA :: 4.228 HB1 :: 1.688 HB2 :: 1.688 HB3 :: 1.688 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.559 Ave N Shift Values>> N :: 123.23(3.54) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.37 R 0.08 Q 0.06 C Shift Assignments>> C :: 175.970 CA :: 56.157 CB :: 33.127 CG :: 25.122 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.420 HA :: 4.521 HB2 :: 2.081 HB3 :: 1.830 HG2 :: 1.554 HG3 :: 1.554 HE2 :: 2.999 HE3 :: 2.999 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.713 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.46 C Shift Assignments>> C :: 175.416 CA :: 55.471 CB :: 34.810 CG :: 24.669 CD :: 29.500 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.468 HA :: 4.692 HB2 :: 1.955 HB3 :: 1.912 HG2 :: 1.464 HG3 :: 1.544 HD2 :: 1.771 HD3 :: 1.771 HE2 :: 3.051 HE3 :: 3.051 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.817 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.N181 1.N181 C Shift Assignments>> C :: 174.130 CA :: 63.571 CB :: 69.659 CG2 :: 22.207 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.428 HA :: 4.762 HB :: 4.171 HG21 :: 1.260 HG22 :: 1.260 HG23 :: 1.260 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.711 Ave N Shift Values>> N :: 115.42(4.75) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.4 C 0.16 C Shift Assignments>> C :: 174.075 CA :: 57.809 CB :: 41.259 CD1 :: 131.937 CE1 :: 131.753 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.184 HA :: 4.784 HB2 :: 3.274 HB3 :: 3.110 HD1 :: 7.309 HD2 :: 7.309 HE1 :: 7.443 HE2 :: 7.443 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 129.490 Ave N Shift Values>> N :: 120.45(4.18) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.3 E 0.24 Q 0.01 C Shift Assignments>> C :: 175.108 CA :: 55.120 CB :: 32.485 CG :: 36.345 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.246 HA :: 5.015 HB2 :: 2.010 HB3 :: 1.875 HG2 :: 2.191 HG3 :: 2.191 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.822 Ave N Shift Values>> N :: 120.67(3.48) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 Q 0.07 R 0.03 C Shift Assignments>> C :: 176.420 CA :: 55.471 CB :: 34.560 CG :: 25.075 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.643 HA :: 4.454 HB2 :: 1.865 HB3 :: 1.625 HG2 :: 1.491 HG3 :: 1.354 HE2 :: 3.103 HE3 :: 3.103 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.105 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 175.743 CA :: 47.454 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.136 HA2 :: 4.280 HA3 :: 3.780 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.204 Ave N Shift Values>> N :: 109.67(3.87) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 174.020 CA :: 61.871 CB :: 68.346 CG2 :: 22.548 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.827 HA :: 4.506 HB :: 4.813 HG21 :: 1.324 HG22 :: 1.324 HG23 :: 1.324 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.008 Ave N Shift Values>> N :: 115.42(4.75) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 HN Overlap>> 1.Y183 1.Y183 C Shift Assignments>> C :: 174.731 CA :: 60.680 CB :: 34.676 CG1 :: 21.562 CG2 :: 21.441 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.900 HA :: 5.340 HB :: 2.347 HG11 :: 1.123 HG12 :: 1.123 HG13 :: 1.123 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.673 Ave N Shift Values>> N :: 121.14(4.54) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.528 CA :: 56.454 CB :: 66.059 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.499 HA :: 5.668 HB2 :: 3.871 HB3 :: 3.794 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.479 Ave N Shift Values>> N :: 116.28(3.52) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 173.732 CA :: 61.416 CB :: 34.759 CG1 :: 22.683 CG2 :: 20.119 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.682 HA :: 5.062 HB :: 2.382 HG11 :: 0.970 HG12 :: 0.970 HG13 :: 0.970 HG21 :: 1.100 HG22 :: 1.100 HG23 :: 1.100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.359 Ave N Shift Values>> N :: 121.14(4.54) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.39 E 0.09 Q 0.04 C Shift Assignments>> C :: 173.488 CA :: 52.094 CB :: 32.213 CG :: 35.524 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.639 HA :: 5.258 HB2 :: 2.213 HB3 :: 2.099 HG2 :: 2.421 HG3 :: 2.199 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 130.980 Ave N Shift Values>> N :: 120.67(3.48) 1.P113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.82 P 0.16 C Shift Assignments>> C :: 175.639 CA :: 61.773 CB :: 33.941 CG :: 27.469 CD :: 52.081 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.562(S) HB2 :: 2.205 HB3 :: 2.301 HG2 :: 2.654 HG3 :: 2.338 HD2 :: 4.390 HD3 :: 4.190 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.15 A 0.13 K 0.09 HN Overlap>> 1.I115 1.I115 C Shift Assignments>> C :: 174.859 CA :: 51.663 CB :: 23.482 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.690 HA :: 4.736 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.282 Ave N Shift Values>> N :: 123.23(3.54) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.2 G 0.03 HN Overlap>> 1.A114 1.A114 C Shift Assignments>> C :: 171.897 CA :: 59.379 CB :: 42.616 CG1 :: 29.133 CG2 :: 15.759 CD1 :: 13.750 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.704 HA :: 5.213 HB :: 1.431 HG12 :: 1.518 HG13 :: 0.844 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.293 HD12 :: 0.293 HD13 :: 0.293 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.207 Ave N Shift Values>> N :: 121.46(4.28) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 173.903 CA :: 61.514 CB :: 32.604 CG1 :: 21.825 CG2 :: 20.267 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.870 HA :: 3.992 HB :: 1.099 HG11 :: 0.626 HG12 :: 0.626 HG13 :: 0.626 HG21 :: 0.255 HG22 :: 0.255 HG23 :: 0.255 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.079 Ave N Shift Values>> N :: 121.14(4.54) 1.R117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 K 0.28 R 0.05 C Shift Assignments>> C :: 179.041 CA :: 53.281 CB :: 32.297 CG :: 26.522 CD :: 40.725 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.751 HA :: 5.007 HB2 :: 1.851 HB3 :: 1.702 HG2 :: 0.824 HG3 :: 0.824 HD2 :: 3.107 HD3 :: 2.822 HE :: 9.988(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.268 NE :: 85.484 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 P 0.28 A 0.11 C 0.09 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 175.514 CA :: 48.122 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.277 HA2 :: 4.171 HA3 :: 3.764 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.782 Ave N Shift Values>> N :: 109.67(3.87) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> C :: 175.596 CA :: 62.703 CB :: 69.503 CG2 :: 23.360 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.402 HA :: 4.273 HB :: 4.509 HG21 :: 1.491 HG22 :: 1.491 HG23 :: 1.491 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.409 Ave N Shift Values>> N :: 115.42(4.75) 1.M120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.32 C 0.22 HN Overlap>> 1.A12 1.A12 C Shift Assignments>> C :: 175.928 CA :: 54.063 CB :: 32.592 CG :: 32.663 CE :: 17.535 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.333 HA :: 5.038 HB2 :: 1.817 HB3 :: 1.817 HG2 :: 2.624 HG3 :: 2.521 HE1 :: 2.210 HE2 :: 2.210 HE3 :: 2.210 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.681 Ave N Shift Values>> N :: 120.09(3.57) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.21 L 0.21 R 0.08 C Shift Assignments>> C :: 178.415 CA :: 60.260 CB :: 43.759 CG :: 26.776 CD1 :: 26.227 CD2 :: 25.356 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.896 HA :: 4.027 HB2 :: 1.877 HB3 :: 1.829 HG :: 1.741 HD11 :: 1.019 HD12 :: 1.019 HD13 :: 1.019 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.410 Ave N Shift Values>> N :: 121.86(3.9) 1.R122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 W 0.16 I 0.15 E 0.08 V 0.08 R 0.06 H 0.06 K 0.05 Q 0.04 P 0.02 M 0.01 C Shift Assignments>> C :: 178.928 CA :: 60.825 CB :: 29.818 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.628 HA :: 4.015 HB2 :: 1.953 HB3 :: 1.953 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.157 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 L 0.14 K 0.12 D 0.1 C 0.1 I 0.04 N 0.01 HN Overlap>> 1.N146 1.M80 1.N146 1.M80 C Shift Assignments>> C :: 179.241 CA :: 57.450 CB :: 40.885 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.072 HA :: 4.474 HB2 :: 2.793 HB3 :: 2.597 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.599 Ave N Shift Values>> N :: 120.65(3.86) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 L 0.13 K 0.12 C 0.1 D 0.09 I 0.05 N 0.01 C Shift Assignments>> C :: 179.472 CA :: 57.617 CB :: 40.850 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.712 HA :: 4.668 HB2 :: 2.805 HB3 :: 2.603 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.104 Ave N Shift Values>> N :: 120.65(3.86) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.39 R 0.13 G 0.01 C Shift Assignments>> C :: 179.236 CA :: 58.547 CB :: 42.397 CG :: 26.797 CD1 :: 24.472 CD2 :: 26.510 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.786 HA :: 4.083 HB2 :: 1.732 HB3 :: 2.151 HG :: 2.064 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 1.050 HD22 :: 1.050 HD23 :: 1.050 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.940 Ave N Shift Values>> N :: 121.86(3.9) 1.Q126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.21 K 0.21 E 0.16 I 0.04 R 0.02 M 0.01 C Shift Assignments>> C :: 176.823 CA :: 58.655 CB :: 28.732 CG :: 34.688 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.781 HA :: 4.105 HB2 :: 2.375 HB3 :: 2.267 HG2 :: 2.695 HG3 :: 2.601 HE21 :: 7.539 HE22 :: 6.928 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.117 NE2 :: 111.653 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.23 C 0.03 L 0.01 C Shift Assignments>> C :: 178.850 CA :: 54.191 CB :: 19.183 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.337 HA :: 4.292 HB1 :: 1.647 HB2 :: 1.647 HB3 :: 1.647 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.069 Ave N Shift Values>> N :: 123.23(3.54) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 174.713 CA :: 64.086 CB :: 33.776 CG1 :: 22.631 CG2 :: 21.378 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.725 HA :: 3.809 HB :: 1.434 HG11 :: 0.738 HG12 :: 0.738 HG13 :: 0.738 HG21 :: 0.040 HG22 :: 0.040 HG23 :: 0.040 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.838 Ave N Shift Values>> N :: 121.14(4.54) 1.F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.27 C 0.19 C Shift Assignments>> C :: 173.814 CA :: 54.682 CB :: 40.433 CD1 :: 132.977 CE1 :: 130.259 CZ :: 128.745 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.394 HA :: 5.408 HB2 :: 3.130 HB3 :: 2.890 HD1 :: 7.221 HD2 :: 7.221 HE1 :: 6.949 HE2 :: 6.949 HZ :: 6.819 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.311 Ave N Shift Values>> N :: 120.45(4.18) 1.P130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.774 CA :: 65.239 CB :: 31.854 CG :: 27.408 CD :: 50.561 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.606 HB2 :: 2.703 HB3 :: 2.132 HG2 :: 2.179 HG3 :: 2.121 HD2 :: 3.828 HD3 :: 3.297 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.460 CA :: 59.245 CB :: 63.677 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.310 HA :: 4.544 HB2 :: 4.425 HB3 :: 4.123 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.266 Ave N Shift Values>> N :: 116.28(3.52) 1.F132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.35 C 0.2 C Shift Assignments>> C :: 174.636 CA :: 57.492 CB :: 39.835 CD1 :: 131.919 CE1 :: 131.035 CZ :: 129.146 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.075 HA :: 3.795 HB2 :: 3.120 HB3 :: 2.302 HD1 :: 6.700 HD2 :: 6.700 HE1 :: 7.108 HE2 :: 7.108 HZ :: 6.998 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.790 Ave N Shift Values>> N :: 120.45(4.18) 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.15 R 0.12 K 0.12 W 0.12 E 0.12 C 0.11 M 0.05 C Shift Assignments>> C :: 175.890 CA :: 55.628 CB :: 29.559 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.746 HA :: 4.343 HB2 :: 1.803 HB3 :: 1.625 HG2 :: 1.717 HG3 :: 1.717 HD2 :: 3.253 HD3 :: 3.253 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.820 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 176.526 CA :: 63.389 CB :: 69.329 CG2 :: 23.069 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.126 HA :: 4.079 HB :: 4.369 HG21 :: 1.436 HG22 :: 1.436 HG23 :: 1.436 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.633 Ave N Shift Values>> N :: 115.42(4.75) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.19 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.961 CA :: 59.122 CB :: 29.270 CG :: 36.652 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.923 HA :: 4.127 HB2 :: 2.014 HB3 :: 2.014 HG2 :: 2.340 HG3 :: 2.340 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.229 Ave N Shift Values>> N :: 120.67(3.48) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.2 F 0.12 N 0.1 Y 0.1 K 0.07 C 0.06 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 176.604 CA :: 54.888 CB :: 40.780 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.062 HA :: 4.658 HB2 :: 2.668 HB3 :: 2.740 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.751 Ave N Shift Values>> N :: 120.65(3.86) 1.C137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 R 0.2 I 0.15 L 0.11 K 0.08 W 0.07 Q 0.07 H 0.04 E 0.03 HN Overlap>> 1.Q74 1.Q74 C Shift Assignments>> C :: 173.287 CA :: 58.745 CB :: 26.577 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.077 HA :: 4.686 HB2 :: 3.068 HB3 :: 3.068 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.872 Ave N Shift Values>> N :: 120.17(4.64) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.028 CA :: 57.315 CB :: 65.302 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.989 HA :: 4.708 HB2 :: 4.159 HB3 :: 3.896 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.910 Ave N Shift Values>> N :: 116.28(3.52) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 I 0.17 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.888 CA :: 59.502 CB :: 29.574 CG :: 36.420 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.079 HA :: 4.131 HB2 :: 2.150 HB3 :: 2.150 HG2 :: 2.445 HG3 :: 2.445 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.739 Ave N Shift Values>> N :: 120.67(3.48) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.11 K 0.09 Q 0.05 M 0.01 C Shift Assignments>> C :: 177.200 CA :: 58.493 CB :: 29.295 CG :: 36.153 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.596 HA :: 4.151 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 2.131 HG3 :: 2.131 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.387 Ave N Shift Values>> N :: 120.67(3.48) 1.H141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.14 Q 0.13 W 0.13 E 0.13 C 0.11 K 0.08 M 0.07 C Shift Assignments>> C :: 174.225 CA :: 55.829 CB :: 30.149 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.711 HA :: 4.625 HB2 :: 2.870 HB3 :: 2.870 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.632 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 176.041 CA :: 51.835 CB :: 19.177 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.559 HA :: 4.127 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.981 Ave N Shift Values>> N :: 123.23(3.54) 1.S143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S39 1.S39 C Shift Assignments>> C :: 174.353 CA :: 59.284 CB :: 64.108 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.889 HA :: 4.576 HB2 :: 3.976 HB3 :: 3.927 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.073 Ave N Shift Values>> N :: 116.28(3.52) 1.F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.39 F 0.38 C 0.22 C Shift Assignments>> C :: 177.265 CA :: 61.453 CB :: 38.913 CD1 :: 131.752 CE1 :: 131.721 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HA :: 3.629 HB2 :: 2.808 HB3 :: 2.808 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 7.387 HE2 :: 7.387 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 I 0.18 W 0.16 K 0.09 E 0.09 H 0.06 Q 0.06 R 0.06 V 0.02 M 0.01 C Shift Assignments>> C :: 179.088 CA :: 60.214 CB :: 29.064 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.118 HA :: 4.355 HB2 :: 2.103 HB3 :: 2.003 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.317 Ave N Shift Values>> N :: 120.67(3.48) 1.N146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 C 0.19 F 0.17 N 0.16 E 0.07 D 0.07 I 0.03 L 0.03 M 0.02 HN Overlap>> 1.D123 1.D123 1.M80 1.M80 C Shift Assignments>> C :: 178.510 CA :: 55.868 CB :: 38.071 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.009 HA :: 4.748 HB2 :: 2.942 HB3 :: 2.731 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.612 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 I 0.15 A 0.11 C 0.03 C Shift Assignments>> C :: 178.850 CA :: 56.768 CB :: 17.651 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.480 HA :: 4.431 HB1 :: 1.769 HB2 :: 1.769 HB3 :: 1.769 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.663 Ave N Shift Values>> N :: 123.23(3.54) 1.Q148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.25 K 0.24 R 0.09 E 0.04 I 0.02 M 0.01 HN Overlap>> 1.L43 1.L43 C Shift Assignments>> C :: 178.897 CA :: 58.658 CB :: 28.150 CG :: 33.672 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.266 HA :: 3.863 HB2 :: 1.990 HB3 :: 1.901 HG2 :: 1.983 HG3 :: 1.926 HE21 :: 7.140 HE22 :: 6.877 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.615 NE2 :: 113.078 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 HN Overlap>> 1.H14 1.H14 C Shift Assignments>> C :: 178.578 CA :: 58.590 CB :: 32.631 CG :: 32.317 CE :: 17.120 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.229 HA :: 4.280 HB2 :: 2.348 HB3 :: 2.279 HG2 :: 2.822 HG3 :: 2.679 HE1 :: 2.204 HE2 :: 2.204 HE3 :: 2.204 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.469 Ave N Shift Values>> N :: 120.09(3.57) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.38 I 0.05 C 0.04 V 0.01 HN Overlap>> 1.I31 1.I31 C Shift Assignments>> C :: 180.840 CA :: 55.625 CB :: 18.650 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.239 HA :: 4.187 HB1 :: 1.684 HB2 :: 1.684 HB3 :: 1.684 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.888 Ave N Shift Values>> N :: 123.23(3.54) 1.R151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 R 0.25 G 0.15 K 0.05 L 0.04 C Shift Assignments>> C :: 177.287 CA :: 60.100 CB :: 28.732 CG :: 26.184 CD :: 43.711 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.811 HA :: 3.202 HB2 :: 1.512 HB3 :: 0.057(S) HG2 :: 0.795 HG3 :: -0.485(S) HD2 :: 2.908 HD3 :: 2.858 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.278 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.29 I 0.24 K 0.05 Q 0.02 C Shift Assignments>> C :: 179.904 CA :: 59.862 CB :: 29.135 CG :: 36.411 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.127 HA :: 3.881 HB2 :: 2.159 HB3 :: 2.159 HG2 :: 2.447 HG3 :: 2.280 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.902 Ave N Shift Values>> N :: 120.67(3.48) 1.R153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.36 K 0.08 G 0.07 I 0.02 C Shift Assignments>> C :: 179.669 CA :: 59.209 CB :: 29.890 CD :: 43.407 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.532 HA :: 4.174 HB2 :: 2.027 HB3 :: 1.888 HG2 :: 1.693 HG3 :: 1.693 HD2 :: 3.323 HD3 :: 3.323 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.477 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.38 C 0.19 C Shift Assignments>> C :: 176.352 CA :: 61.984 CB :: 38.922 CD1 :: 132.369 CE1 :: 131.360 CZ :: 129.430 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.934 HA :: 4.372 HB2 :: 3.552 HB3 :: 3.552 HD1 :: 7.223 HD2 :: 7.223 HE1 :: 7.324 HE2 :: 7.324 HZ :: 7.086 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.402 Ave N Shift Values>> N :: 120.45(4.18) 1.L155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.44 C Shift Assignments>> C :: 180.149 CA :: 58.158 CB :: 40.649 CG :: 26.962 CD1 :: 25.546 CD2 :: 21.962 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.635 HA :: 3.782 HB2 :: 1.893 HB3 :: 1.509 HG :: 1.889 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 1.010 HD22 :: 1.010 HD23 :: 1.010 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.976 Ave N Shift Values>> N :: 121.86(3.9) 1.S156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.735 CA :: 61.963 CB :: 63.008 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.211 HA :: 4.296 HB2 :: 4.099 HB3 :: 4.055 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.845 Ave N Shift Values>> N :: 116.28(3.52) 1.L157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.4 R 0.03 C Shift Assignments>> C :: 179.604 CA :: 57.743 CB :: 41.953 CG :: 26.732 CD1 :: 23.821 CD2 :: 25.411 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.729 HA :: 4.202 HB2 :: 2.044 HB3 :: 1.712 HG :: 1.913 HD11 :: 1.027 HD12 :: 1.027 HD13 :: 1.027 HD21 :: 1.087 HD22 :: 1.087 HD23 :: 1.087 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.610 Ave N Shift Values>> N :: 121.86(3.9) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.A100 1.A100 C Shift Assignments>> C :: 178.215 CA :: 66.426 CB :: 31.730 CG1 :: 23.361 CG2 :: 21.657 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.781 HA :: 3.499 HB :: 2.131 HG11 :: 0.559 HG12 :: 0.559 HG13 :: 0.559 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.651 Ave N Shift Values>> N :: 121.14(4.54) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.39 R 0.02 C Shift Assignments>> C :: 179.396 CA :: 57.742 CB :: 41.785 CG :: 27.046 CD1 :: 24.959 CD2 :: 23.827 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.819 HA :: 4.230 HB2 :: 1.870 HB3 :: 1.744 HG :: 1.814 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 HD21 :: 0.973 HD22 :: 0.973 HD23 :: 0.973 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.412 Ave N Shift Values>> N :: 121.86(3.9) 1.K160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.39 R 0.1 Q 0.02 V 0.02 C Shift Assignments>> C :: 178.768 CA :: 58.560 CB :: 32.295 CG :: 25.120 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.883 HA :: 4.243 HB2 :: 2.038 HB3 :: 2.038 HG2 :: 1.663 HG3 :: 1.572 HE2 :: 3.080 HE3 :: 3.080 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.426 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.2 Q 0.2 K 0.19 I 0.04 M 0.02 R 0.01 HN Overlap>> 1.R165 1.R165 C Shift Assignments>> C :: 178.238 CA :: 58.665 CB :: 29.213 CG :: 34.806 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.134 HA :: 4.253 HB2 :: 2.331 HB3 :: 2.271 HG2 :: 2.596 HG3 :: 2.431 HE21 :: 7.650 HE22 :: 7.220 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.715 NE2 :: 112.057 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.13 K 0.05 M 0.02 Q 0.02 C Shift Assignments>> C :: 178.720 CA :: 58.948 CB :: 29.804 CG :: 36.494 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.346 HA :: 4.235 HB2 :: 2.277 HB3 :: 2.223 HG2 :: 2.505 HG3 :: 2.378 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.453 Ave N Shift Values>> N :: 120.67(3.48) 1.E163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 I 0.11 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.674 CA :: 58.818 CB :: 29.869 CG :: 36.474 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.248 HA :: 4.204 HB2 :: 2.240 HB3 :: 2.240 HG2 :: 2.491 HG3 :: 2.383 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.618 Ave N Shift Values>> N :: 120.67(3.48) 1.Q164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.26 E 0.09 R 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 177.551 CA :: 57.805 CB :: 28.843 CG :: 34.019 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.124 HA :: 4.288 HB2 :: 2.275 HB3 :: 2.275 HG2 :: 2.582 HG3 :: 2.506 HE21 :: 7.639 HE22 :: 6.902 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.104 NE2 :: 111.928 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.4 K 0.15 M 0.02 HN Overlap>> 1.Q161 1.Q161 C Shift Assignments>> C :: 177.758 CA :: 57.954 CB :: 30.521 CG :: 27.670 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.138 HA :: 4.312 HB2 :: 2.011 HB3 :: 2.011 HG2 :: 1.890 HG3 :: 1.771 HD2 :: 3.323 HD3 :: 3.323 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.763 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.4 R 0.09 Q 0.05 V 0.01 C Shift Assignments>> C :: 177.902 CA :: 58.021 CB :: 32.827 CG :: 25.239 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.101 HA :: 4.355 HB2 :: 2.012 HB3 :: 2.012 HG2 :: 1.679 HG3 :: 1.552 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.257 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T167 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 :: 175.343 CA :: 63.447 CB :: 69.730 CG2 :: 21.800 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.069 HA :: 4.351 HB :: 4.401 HG21 :: 1.341 HG22 :: 1.341 HG23 :: 1.341 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.182 Ave N Shift Values>> N :: 115.42(4.75) 1.E168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 W 0.15 H 0.13 R 0.13 C 0.13 Q 0.12 K 0.08 M 0.05 I 0.01 V 0.01 C Shift Assignments>> C :: 176.790 CA :: 57.452 CB :: 30.148 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.323 HA :: 4.328 HB2 :: 2.181 HB3 :: 2.114 HG2 :: 2.444 HG3 :: 2.444 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.433 Ave N Shift Values>> N :: 120.67(3.48) 1.A169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.14 C 0.02 HN Overlap>> 1.Y8 1.Y8 C Shift Assignments>> C :: 177.972 CA :: 53.216 CB :: 19.167 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.169 HA :: 4.357 HB1 :: 1.514 HB2 :: 1.514 HB3 :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.289 Ave N Shift Values>> N :: 123.23(3.54) 1.A170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.13 C 0.02 C Shift Assignments>> C :: 178.151 CA :: 53.180 CB :: 19.227 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.094 HA :: 4.366 HB1 :: 1.476 HB2 :: 1.476 HB3 :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.098 Ave N Shift Values>> N :: 123.23(3.54) 1.V171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 176.331 CA :: 63.120 CB :: 32.729 CG1 :: 20.790 CG2 :: 21.211 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.893 HA :: 4.085 HB :: 2.054 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.615 Ave N Shift Values>> N :: 121.14(4.54) 1.F172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.2 C Shift Assignments>> C :: 176.071 CA :: 58.074 CB :: 39.587 CD1 :: 131.777 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.164 HA :: 4.709 HB2 :: 3.236 HB3 :: 3.083 HD1 :: 7.301 HD2 :: 7.301 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.681 Ave N Shift Values>> N :: 120.45(4.18) 1.Q173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.07 M 0.06 R 0.02 HN Overlap>> 1.R179 1.R179 C Shift Assignments>> C :: 175.854 CA :: 56.302 CB :: 29.432 CG :: 33.833 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.313 HA :: 4.379 HB2 :: 2.192 HB3 :: 2.064 HG2 :: 2.411 HG3 :: 2.411 HE21 :: 7.533 HE22 :: 6.902 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.098 NE2 :: 111.972 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.19 C 0.09 Y 0.09 F 0.09 L 0.06 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> C :: 175.853 CA :: 53.808 CB :: 38.931 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.458 HA :: 4.728 HB2 :: 2.953 HB3 :: 2.879 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.167 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.143 CA :: 45.827 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.417 HA2 :: 4.033 HA3 :: 4.033 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.907 Ave N Shift Values>> N :: 109.67(3.87) 1.K176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.11 G 0.01 C Shift Assignments>> C :: 176.502 CA :: 56.544 CB :: 33.280 CG :: 24.811 CD :: 29.151 CE :: 42.358 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.073 HA :: 4.399 HB2 :: 1.910 HB3 :: 1.841 HG2 :: 1.484 HG3 :: 1.468 HD2 :: 1.749 HD3 :: 1.749 HE2 :: 3.071 HE3 :: 3.071 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.578 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 R 0.06 G 0.01 C Shift Assignments>> C :: 177.397 CA :: 55.590 CB :: 42.465 CG :: 27.216 CD1 :: 25.051 CD2 :: 23.868 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.370 HA :: 4.384 HB2 :: 1.682 HB3 :: 1.638 HG :: 1.659 HD11 :: 0.943 HD12 :: 0.943 HD13 :: 0.943 HD21 :: 0.882 HD22 :: 0.882 HD23 :: 0.882 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.969 Ave N Shift Values>> N :: 121.86(3.9) 1.E178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.1 K 0.05 Q 0.04 I 0.03 HN Overlap>> 1.D94 1.D94 C Shift Assignments>> C :: 176.695 CA :: 56.933 CB :: 30.359 CG :: 36.353 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.444 HA :: 4.367 HB2 :: 2.137 HB3 :: 2.034 HG2 :: 2.345 HG3 :: 2.345 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.846 Ave N Shift Values>> N :: 120.67(3.48) 1.R179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.4 G 0.08 K 0.04 HN Overlap>> 1.Q173 1.Q173 C Shift Assignments>> C :: 176.537 CA :: 56.715 CB :: 30.929 CG :: 27.269 CD :: 43.553 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.314 HA :: 4.326 HB2 :: 1.939 HB3 :: 1.889 HG2 :: 1.713 HG3 :: 1.713 HD2 :: 3.278 HD3 :: 3.278 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.172 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.07 K 0.05 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.387 CA :: 57.264 CB :: 30.237 CG :: 36.528 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.524 HA :: 4.290 HB2 :: 2.109 HB3 :: 2.035 HG2 :: 2.347 HG3 :: 2.347 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.895 Ave N Shift Values>> N :: 120.67(3.48) 1.N181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.21 C 0.08 F 0.08 Y 0.08 L 0.06 HN Overlap>> 1.T103 1.T103 C Shift Assignments>> C :: 174.859 CA :: 53.565 CB :: 39.142 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.347 HA :: 4.719 HB2 :: 2.830 HB3 :: 2.771 HD21 :: 7.605 HD22 :: 6.942 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.664 ND2 :: 112.568 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.28 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 176.454 CA :: 55.403 CB :: 42.599 CG :: 26.968 CD1 :: 25.061 CD2 :: 23.691 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.012 HA :: 4.269 HB2 :: 1.524 HB3 :: 1.364 HG :: 1.513 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.662 Ave N Shift Values>> N :: 121.86(3.9) 1.Y183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 HN Overlap>> 1.V109 1.V109 C Shift Assignments>> C :: 175.148 CA :: 57.960 CB :: 39.050 CD1 :: 133.100 CE1 :: 118.365 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.956 HA :: 4.517 HB2 :: 2.914 HB3 :: 2.836 HD1 :: 7.068 HD2 :: 7.068 HE1 :: 6.841 HE2 :: 6.841 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.578 Ave N Shift Values>> N :: 120.52(4.2) 1.F184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.37 C 0.21 C Shift Assignments>> C :: 174.577 CA :: 57.731 CB :: 39.549 CD1 :: 131.475 CE1 :: 129.240 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.108 HA :: 4.579 HB2 :: 3.084 HB3 :: 2.873 HD1 :: 7.062 HD2 :: 7.062 HE1 :: 6.865 HE2 :: 6.865 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.033 Ave N Shift Values>> N :: 120.45(4.18) 1.Q185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 M 0.18 E 0.17 K 0.1 C Shift Assignments>> C :: 180.313 CA :: 57.591 CB :: 30.683 CG :: 34.421 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.717 HA :: 4.182 HB2 :: 2.145 HB3 :: 1.969 HG2 :: 2.319 HG3 :: 2.319 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.048 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 173 #Clerical: 0 #Suspicious: 12 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 184 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 185 #Suspicious: 0 C Shift Results: #Consistent: 772 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1262 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 192 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A12 HB1 = 0.399(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.5450e-04 1.A12 HB2 = 0.399(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.5450e-04 1.A12 HB3 = 0.399(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.5450e-04 1.E30 HA = 5.764(S), Expected = 4.25, Std = 0.4100, ChiSquare = 2.2190e-04 1.P36 HD3 = 2.272(S), Expected = 3.61, Std = 0.3900, ChiSquare = 6.0187e-04 1.K38 HD2 = 3.113(S), Expected = 1.61, Std = 0.2200, ChiSquare = 8.3845e-12 1.K38 HD3 = 3.113(S), Expected = 1.60, Std = 0.2200, ChiSquare = 6.1009e-12 1.L43 CB = 49.438(S), Expected = 42.31, Std = 1.8800, ChiSquare = 1.4975e-04 1.R45 HB3 = -0.020(S), Expected = 1.76, Std = 0.2800, ChiSquare = 2.0554e-10 1.K48 HB3 = 0.227(S), Expected = 1.74, Std = 0.2700, ChiSquare = 2.0982e-08 1.K48 HD3 = 0.353(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.4432e-08 1.P92 HD3 = 2.065(S), Expected = 3.61, Std = 0.3900, ChiSquare = 7.4468e-05 1.E97 HG2 = 1.366(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.6717e-05 1.E97 HG3 = 0.972(S), Expected = 2.25, Std = 0.2200, ChiSquare = 6.2813e-09 1.P113 HA = 5.562(S), Expected = 4.40, Std = 0.3300, ChiSquare = 4.2958e-04 1.R117 HE = 9.988(S), Expected = 7.40, Std = 0.6300, ChiSquare = 3.9921e-05 1.R151 HB3 = 0.057(S), Expected = 1.76, Std = 0.2800, ChiSquare = 1.1859e-09 1.R151 HG3 = -0.485(S), Expected = 1.54, Std = 0.2900, ChiSquare = 2.8944e-12