Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.71 A 0.28 C Shift Assignments>> C :: 175.642 CA :: 54.943 CB :: 33.407 CG :: 31.943 CE :: 16.931 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.394 HB2 :: 1.905 HB3 :: 1.839 HG2 :: 2.415 HG3 :: 2.415 HE1 :: 1.919 HE2 :: 1.919 HE3 :: 1.919 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.15 G 0.14 C Shift Assignments>> C :: 176.387 CA :: 56.556 CB :: 30.698 CG :: 27.420 CD :: 43.571 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.281 HA :: 4.126 HB2 :: 1.589 HB3 :: 1.589 HG2 :: 1.488 HG3 :: 1.488 HD2 :: 3.016 HD3 :: 2.967 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.269 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 G 0.17 R 0.08 A 0.01 C Shift Assignments>> C :: 178.040 CA :: 54.270 CB :: 43.612 CG :: 26.909 CD1 :: 25.263 CD2 :: 23.852 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.527 HA :: 4.414 HB2 :: 1.589 HB3 :: 1.486 HG :: 1.721 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.588 Ave N Shift Values>> N :: 121.98(4.07) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.42 M 0.02 G 0.01 C Shift Assignments>> C :: 178.029 CA :: 57.051 CB :: 32.877 CG :: 26.126 CD :: 29.522 CE :: 42.028 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.646 HA :: 4.524 HB2 :: 1.774 HB3 :: 2.362 HG2 :: 1.535 HG3 :: 1.718 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.765 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S8 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 :: 174.858 CA :: 63.553 CB :: 62.382 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.316 HA :: 3.720 HB2 :: 3.821 HB3 :: 3.155 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.163 Ave N Shift Values>> N :: 116.3(3.95) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.2 K 0.14 Q 0.11 M 0.06 C Shift Assignments>> C :: 177.494 CA :: 59.824 CB :: 29.780 CG :: 35.487 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.913 HA :: 3.401 HB2 :: 2.227 HB3 :: 2.018 HG2 :: 2.269 HG3 :: 2.217 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.372 Ave N Shift Values>> N :: 120.68(3.68) 1.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.91 A 0.08 C Shift Assignments>> C :: 178.173 CA :: 57.360 CB :: 32.761 CG :: 32.709 CE :: 17.395 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 6.642 HA :: 4.200 HB2 :: 2.633 HB3 :: 2.075 HG2 :: 2.542 HG3 :: 2.542 HE1 :: 2.041 HE2 :: 2.041 HE3 :: 2.041 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.318 Ave N Shift Values>> N :: 120.1(3.88) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.44 C Shift Assignments>> C :: 177.603 CA :: 61.845 CB :: 38.595 CD1 :: 132.617 CD2 :: 132.617 CE1 :: 131.267 CE2 :: 131.267 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.432 HA :: 3.718 HB2 :: 2.900 HB3 :: 2.715 HD1 :: 6.983 HD2 :: 6.983 HE1 :: 7.138 HE2 :: 7.138 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.099 Ave N Shift Values>> N :: 120.69(4.18) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.668 CA :: 67.353 CB :: 31.238 CG1 :: 21.887 CG2 :: 22.741 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.133 HA :: 3.021 HB :: 1.342 HG11 :: 0.706 HG12 :: 0.706 HG13 :: 0.706 HG21 :: 0.146 HG22 :: 0.146 HG23 :: 0.146 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.317 Ave N Shift Values>> N :: 121.02(4.96) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.947 CA :: 61.775 CB :: 62.483 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.750 HA :: 3.905 HB2 :: 3.847 HB3 :: 3.796 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.115 Ave N Shift Values>> N :: 116.3(3.95) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.39 I 0.03 C Shift Assignments>> C :: 179.154 CA :: 54.811 CB :: 17.641 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.776 HA :: 3.860 HB1 :: 1.150 HB2 :: 1.150 HB3 :: 1.150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.170 Ave N Shift Values>> N :: 123.23(3.7) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.13 K 0.01 C Shift Assignments>> C :: 177.617 CA :: 57.790 CB :: 41.352 CG :: 27.103 CD1 :: 26.238 CD2 :: 23.498 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.732 HA :: 3.636 HB2 :: 1.673 HB3 :: 0.837 HG :: 1.050 HD11 :: 0.509 HD12 :: 0.509 HD13 :: 0.509 HD21 :: 0.486 HD22 :: 0.486 HD23 :: 0.486 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.171 Ave N Shift Values>> N :: 121.98(4.07) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.708 CA :: 65.872 CB :: 37.704 CG1 :: 29.414 CG2 :: 16.995 CD1 :: 14.083 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.037 HA :: 3.061 HB :: 1.743 HG12 :: 1.582 HG13 :: 1.582 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.849 Ave N Shift Values>> N :: 121.6(4.72) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.13 K 0.09 L 0.01 C Shift Assignments>> C :: 179.876 CA :: 59.920 CB :: 29.995 CG :: 27.257 CD :: 43.267 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.537 HA :: 3.980 HB2 :: 1.800 HB3 :: 1.800 HG2 :: 1.590 HG3 :: 1.590 HD2 :: 3.083 HD3 :: 3.083 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.366 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.23 K 0.08 C Shift Assignments>> C :: 176.630 CA :: 59.606 CB :: 30.327 CG :: 27.858 CD :: 43.761 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.068 HA :: 3.868 HB2 :: 1.772 HB3 :: 1.609 HG2 :: 1.773 HG3 :: 1.419 HD2 :: 2.993 HD3 :: 2.993 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.713 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D98 1.Q58 1.D98 1.Q58 C Shift Assignments>> C :: 177.306 CA :: 66.667 CB :: 30.421 CG1 :: 23.563 CG2 :: 21.980 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.259 HA :: 3.296 HB :: 1.760 HG11 :: 0.723 HG12 :: 0.723 HG13 :: 0.723 HG21 :: 0.352 HG22 :: 0.352 HG23 :: 0.352 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.385 Ave N Shift Values>> N :: 121.02(4.96) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 180.973 CA :: 61.988 CB :: 38.553 CD1 :: 132.334 CD2 :: 132.334 CE1 :: 131.475 CE2 :: 131.475 CZ :: 129.423 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.014 HA :: 4.222 HB2 :: 3.032 HB3 :: 2.836 HD1 :: 7.368 HD2 :: 7.368 HE1 :: 7.346 HE2 :: 7.346 HZ :: 7.109 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.811 Ave N Shift Values>> N :: 120.69(4.18) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.03 C Shift Assignments>> C :: 178.425 CA :: 54.716 CB :: 17.752 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.192 HA :: 4.096 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.995 Ave N Shift Values>> N :: 123.23(3.7) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 177.665 CA :: 51.629 CB :: 18.554 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.256 HA :: 4.356 HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.872 Ave N Shift Values>> N :: 123.23(3.7) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.779 CA :: 45.347 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.774 HA2 :: 4.207 HA3 :: 3.762 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.718 Ave N Shift Values>> N :: 109.91(4.29) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.3 G 0.15 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 171.187 CA :: 43.665 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.795 HA2 :: 4.538 HA3 :: 3.306 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.369 Ave N Shift Values>> N :: 109.91(4.29) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 Y 0.21 G 0.08 C Shift Assignments>> C :: 172.423 CA :: 56.434 CB :: 42.819 CD1 :: 131.610 CD2 :: 131.610 CE1 :: 131.632 CE2 :: 131.632 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.340 HA :: 3.784 HB2 :: 2.927 HB3 :: 2.566 HD1 :: 7.012 HD2 :: 7.012 HE1 :: 7.246 HE2 :: 7.246 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.754 Ave N Shift Values>> N :: 120.69(4.18) 1.A26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.74 L 0.15 K 0.04 R 0.02 C Shift Assignments>> C :: 173.842 CA :: 50.257 CB :: 25.150(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 5.579(S) HA :: 4.943 HB1 :: 0.972 HB2 :: 0.972 HB3 :: 0.972 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.477 Ave N Shift Values>> N :: 123.23(3.7) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.23 M 0.12 K 0.07 C Shift Assignments>> C :: 175.543 CA :: 51.545 CB :: 22.974 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.723 HA :: 4.330 HB1 :: 1.343 HB2 :: 1.343 HB3 :: 1.343 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.178 Ave N Shift Values>> N :: 123.23(3.7) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.547 CA :: 64.153 CB :: 31.951 CG1 :: 21.949 CG2 :: 23.135 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.841 HA :: 3.972 HB :: 2.078 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 1.085 HG22 :: 1.085 HG23 :: 1.085 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.857 Ave N Shift Values>> N :: 121.02(4.96) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.16 I 0.11 K 0.09 Q 0.06 C Shift Assignments>> C :: 176.177 CA :: 57.686 CB :: 30.521 CG :: 36.269 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.595 HA :: 4.275 HB2 :: 1.937 HB3 :: 1.546 HG2 :: 2.121 HG3 :: 1.763 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 132.091 Ave N Shift Values>> N :: 120.68(3.68) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.35 G 0.06 M 0.02 C Shift Assignments>> C :: 174.232 CA :: 55.370 CB :: 36.138 CG :: 24.382 CD :: 28.929 CE :: 42.636 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.163 HA :: 4.352 HB2 :: 1.620 HB3 :: 1.377 HG2 :: 1.185 HG3 :: 1.083 HD2 :: 1.408 HD3 :: 1.360 HE2 :: 2.897 HE3 :: 2.690 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.899 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.28 M 0.07 G 0.01 C Shift Assignments>> C :: 175.170 CA :: 56.089 CB :: 32.386 CG :: 24.724 CD :: 29.339 CE :: 41.991 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.603 HA :: 3.268 HB2 :: 1.287 HB3 :: 1.287 HG2 :: 0.880 HG3 :: 0.822 HD2 :: 1.480 HD3 :: 1.415 HE2 :: 2.838 HE3 :: 2.838 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.067 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G32 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 L 0.3 G 0.08 D 0.05 K 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.863 CA :: 43.344 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 3.335(S) HA2 :: 3.652 HA3 :: 2.313(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.639 Ave N Shift Values>> N :: 109.91(4.29) SRO Rule Breaks>> (H > HA2 : 0.9980) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.22 C Shift Assignments>> C :: 181.026 CA :: 52.674 CB :: 19.020 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.202 HA :: 4.173 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.182 Ave N Shift Values>> N :: 123.23(3.7) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 E 0.35 K 0.03 M 0.02 C Shift Assignments>> C :: 177.137 CA :: 61.214 CB :: 29.947 CG :: 36.636 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.313 HA :: 4.130 HB2 :: 2.077 HB3 :: 2.194 HG2 :: 2.408 HG3 :: 2.342 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.206 Ave N Shift Values>> N :: 120.68(3.68) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.38 I 0.03 C Shift Assignments>> C :: 180.260 CA :: 55.118 CB :: 18.192 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.614 HA :: 4.377 HB1 :: 1.442 HB2 :: 1.442 HB3 :: 1.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.251 Ave N Shift Values>> N :: 123.23(3.7) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> C :: 177.468 CA :: 51.190 CB :: 19.451 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.467 HA :: 4.612 HB1 :: 1.212 HB2 :: 1.212 HB3 :: 1.212 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.927 Ave N Shift Values>> N :: 123.23(3.7) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.885 CA :: 46.790 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.445 HA2 :: 4.143 HA3 :: 4.010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.715 Ave N Shift Values>> N :: 109.91(4.29) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 L 0.02 C Shift Assignments>> CA :: 52.676 CB :: 20.069 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.722 HA :: 4.053 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.782 Ave N Shift Values>> N :: 123.23(3.7) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 172.754 CA :: 61.429 CB :: 40.275 CG1 :: 27.195 CG2 :: 17.499 CD1 :: 14.562 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.776 HA :: 4.533 HB :: 1.550 HG12 :: 1.345 HG13 :: 1.345 HG21 :: 0.634 HG22 :: 0.634 HG23 :: 0.634 HD11 :: 0.366 HD12 :: 0.366 HD13 :: 0.366 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.692 Ave N Shift Values>> N :: 121.6(4.72) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.45 C Shift Assignments>> C :: 175.559 CA :: 56.375 CB :: 41.794 CD1 :: 131.796 CD2 :: 131.796 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.513 HA :: 5.242 HB2 :: 3.292 HB3 :: 2.789 HD1 :: 7.193 HD2 :: 7.193 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.003 Ave N Shift Values>> N :: 120.69(4.18) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 174.233 CA :: 60.287 CB :: 35.122 CG1 :: 21.277 CG2 :: 20.267 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.898 HA :: 4.981 HB :: 1.769 HG11 :: 0.636 HG12 :: 0.636 HG13 :: 0.636 HG21 :: 0.376 HG22 :: 0.376 HG23 :: 0.376 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.239 Ave N Shift Values>> N :: 121.02(4.96) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 R 0.17 K 0.01 C Shift Assignments>> C :: 173.198 CA :: 54.067 CB :: 33.430 CG :: 26.608 CD :: 44.871 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.399 HA :: 5.094 HB2 :: 1.705 HB3 :: 1.618 HG2 :: 1.592 HG3 :: 1.289 HD2 :: 3.250 HD3 :: 2.643 HE :: 8.921 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.107 NE :: 84.514 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 Q 0.12 K 0.07 R 0.01 E 0.01 C Shift Assignments>> C :: 174.278 CA :: 52.778 CB :: 31.703 CG :: 32.213 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.402 HA :: 5.371 HB2 :: 1.500 HB3 :: 1.500 HG2 :: 2.223 HG3 :: 2.086 HE21 :: 6.879 HE22 :: 7.601 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.936 NE2 :: 111.891 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.25 G 0.1 C Shift Assignments>> C :: 175.417 CA :: 56.319 CB :: 31.231 CG :: 27.487 CD :: 43.314 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.875 HA :: 4.488 HB2 :: 1.752 HB3 :: 1.587 HG2 :: 1.485 HG3 :: 1.485 HD2 :: 3.031 HD3 :: 3.031 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.617 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 A 0.12 R 0.07 G 0.02 HN Overlap>> 1.D107 1.D107 C Shift Assignments>> C :: 179.893 CA :: 53.972 CB :: 42.206 CG :: 27.535 CD1 :: 24.530 CD2 :: 22.468 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.494 HA :: 4.480 HB2 :: 1.803 HB3 :: 1.462 HG :: 1.452 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 HD21 :: 0.699 HD22 :: 0.699 HD23 :: 0.699 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.380 Ave N Shift Values>> N :: 121.98(4.07) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.12 G 0.11 L 0.03 C Shift Assignments>> C :: 177.114 CA :: 58.773 CB :: 29.688 CG :: 27.290 CD :: 43.240 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.223 HA :: 3.929 HB2 :: 1.806 HB3 :: 1.806 HG2 :: 1.584 HG3 :: 1.584 HD2 :: 3.088 HD3 :: 3.088 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.380 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.34 L 0.11 F 0.08 Y 0.08 K 0.02 C Shift Assignments>> C :: 177.125 CA :: 53.256 CB :: 39.993 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.727 HA :: 4.373 HB2 :: 2.898 HB3 :: 2.419 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.801 Ave N Shift Values>> N :: 120.73(4.2) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.1 R 0.04 C Shift Assignments>> C :: 175.041 CA :: 45.289 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.878 HA2 :: 4.237 HA3 :: 3.531 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.005 Ave N Shift Values>> N :: 109.91(4.29) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.31 G 0.08 C Shift Assignments>> C :: 174.199 CA :: 55.909 CB :: 31.226 CG :: 28.220 CD :: 43.244 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.696 HA :: 4.309 HB2 :: 1.958 HB3 :: 1.247 HG2 :: 1.378 HG3 :: 1.200 HD2 :: 2.948 HD3 :: 2.802 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.601 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 E 0.38 I 0.01 C Shift Assignments>> C :: 175.590 CA :: 55.057 CB :: 35.650 CG :: 37.166 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.885 HA :: 5.381 HB2 :: 1.870 HB3 :: 1.327 HG2 :: 1.988 HG3 :: 1.988 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.439 Ave N Shift Values>> N :: 120.68(3.68) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.2 L 0.19 K 0.05 G 0.04 R 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.562 CA :: 50.361 CB :: 41.823 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.683 HA :: 5.153 HB2 :: 2.552 HB3 :: 2.238 HD21 :: 6.724 HD22 :: 7.043 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.752 ND2 :: 111.971 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.17 A 0.1 R 0.01 C Shift Assignments>> C :: 174.213 CA :: 52.889 CB :: 46.300 CG :: 27.805 CD1 :: 26.908 CD2 :: 23.086 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.847 HA :: 5.274 HB2 :: 1.618 HB3 :: 1.258 HG :: 1.447 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 1.038 HD22 :: 1.038 HD23 :: 1.038 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.365 Ave N Shift Values>> N :: 121.98(4.07) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.473 CA :: 55.928 CB :: 40.076 CD1 :: 133.061 CD2 :: 133.061 CE1 :: 117.996 CE2 :: 117.996 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.641 HA :: 5.519 HB2 :: 2.845 HB3 :: 2.508 HD1 :: 6.708 HD2 :: 6.708 HE1 :: 6.788 HE2 :: 6.788 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.507 Ave N Shift Values>> N :: 120.79(4.69) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.28 G 0.28 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.040 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.893 HA2 :: 4.687 HA3 :: 3.127 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.518 Ave N Shift Values>> N :: 109.91(4.29) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> C :: 176.695 CA :: 63.187 CB :: 32.096 CG :: 27.637 CD :: 48.915 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.849 HB2 :: 1.998 HB3 :: 1.483 HG2 :: 1.751 HG3 :: 1.751 HD2 :: 2.531 HD3 :: 2.531 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 G 0.01 C Shift Assignments>> CA :: 49.506 CB :: 18.096 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.675 HA :: 4.242 HB1 :: 0.877 HB2 :: 0.877 HB3 :: 0.877 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.695 Ave N Shift Values>> N :: 123.23(3.7) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.368 CA :: 63.116 CB :: 31.747 CG :: 27.461 CD :: 50.298 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.186 HB2 :: 2.101 HB3 :: 1.687 HG2 :: 1.865 HG3 :: 1.865 HD2 :: 3.618 HD3 :: 3.314 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.27 M 0.18 E 0.15 R 0.04 HN Overlap>> 1.V19 1.D98 1.V19 1.D98 C Shift Assignments>> C :: 175.368 CA :: 55.635 CB :: 29.927 CG :: 33.774 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.278 HA :: 4.083 HB2 :: 1.725 HB3 :: 1.725 HG2 :: 2.046 HG3 :: 2.046 HE21 :: 6.726 HE22 :: 7.412 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.313 NE2 :: 112.226 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.075 CA :: 57.667 CB :: 63.751 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.182 HA :: 4.246 HB2 :: 3.587 HB3 :: 3.553 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.615 Ave N Shift Values>> N :: 116.3(3.95) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 Y 0.37 C Shift Assignments>> C :: 175.439 CA :: 57.622 CB :: 39.519 CD1 :: 131.926 CD2 :: 131.926 CE1 :: 131.567 CE2 :: 131.567 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.100 HA :: 4.493 HB2 :: 3.047 HB3 :: 2.793 HD1 :: 7.082 HD2 :: 7.082 HE1 :: 7.144 HE2 :: 7.144 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.890 Ave N Shift Values>> N :: 120.69(4.18) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 L 0.01 C Shift Assignments>> C :: 179.286 CA :: 52.471 CB :: 19.444 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.234 HA :: 4.165 HB1 :: 1.230 HB2 :: 1.230 HB3 :: 1.230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.383 Ave N Shift Values>> N :: 123.23(3.7) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.14 N 0.1 F 0.09 Y 0.08 R 0.04 HN Overlap>> 1.M67 1.M67 C Shift Assignments>> C :: 176.073 CA :: 54.360 CB :: 41.213 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.017 HA :: 4.412 HB2 :: 2.578 HB3 :: 2.516 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.579 Ave N Shift Values>> N :: 120.73(4.2) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 F 0.12 N 0.11 K 0.11 Y 0.1 R 0.02 C Shift Assignments>> C :: 176.619 CA :: 54.714 CB :: 40.801 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.096 HA :: 4.346 HB2 :: 2.517 HB3 :: 2.517 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.530 Ave N Shift Values>> N :: 120.73(4.2) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 K 0.12 M 0.12 I 0.11 Q 0.06 C Shift Assignments>> C :: 176.652 CA :: 57.301 CB :: 30.107 CG :: 36.337 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.109 HA :: 4.012 HB2 :: 1.881 HB3 :: 1.828 HG2 :: 2.115 HG3 :: 2.065 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.050 Ave N Shift Values>> N :: 120.68(3.68) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 K 0.12 F 0.11 N 0.11 Y 0.1 R 0.02 HN Overlap>> 1.E108 1.E108 C Shift Assignments>> C :: 177.458 CA :: 54.645 CB :: 40.896 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.062 HA :: 4.369 HB2 :: 2.519 HB3 :: 2.519 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.211 Ave N Shift Values>> N :: 120.73(4.2) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.802 CA :: 62.754 CB :: 38.230 CG1 :: 27.829 CG2 :: 17.415 CD1 :: 13.379 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.805 HA :: 3.708 HB :: 1.698 HG12 :: 1.248 HG13 :: 0.973 HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.259 Ave N Shift Values>> N :: 121.6(4.72) 1.M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.19 HN Overlap>> 1.D62 1.D62 C Shift Assignments>> C :: 176.724 CA :: 55.944 CB :: 31.826 CG :: 32.338 CE :: 17.058 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.950 HA :: 4.229 HB2 :: 1.928 HB3 :: 1.928 HG2 :: 2.517 HG3 :: 2.366 HE1 :: 1.920 HE2 :: 1.920 HE3 :: 1.920 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.533 Ave N Shift Values>> N :: 120.1(3.88) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.21 G 0.1 C Shift Assignments>> C :: 175.530 CA :: 56.028 CB :: 30.760 CG :: 27.494 CD :: 43.318 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.604 HA :: 4.197 HB2 :: 1.768 HB3 :: 1.592 HG2 :: 1.477 HG3 :: 1.477 HD2 :: 3.028 HD3 :: 3.028 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.706 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 L 0.02 C Shift Assignments>> C :: 176.846 CA :: 51.905 CB :: 20.023 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.634 HA :: 4.254 HB1 :: 1.251 HB2 :: 1.251 HB3 :: 1.251 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.528 Ave N Shift Values>> N :: 123.23(3.7) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.23 K 0.08 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.333 CA :: 55.928 CB :: 30.769 CG :: 36.368 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.192 HA :: 4.228 HB2 :: 1.931 HB3 :: 1.853 HG2 :: 2.232 HG3 :: 2.232 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.599 Ave N Shift Values>> N :: 120.68(3.68) 1.R71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.51 R 0.47 G 0.01 C Shift Assignments>> C :: 175.422 CA :: 56.964 CB :: 30.886 CG :: 28.478 CD :: 41.985 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.674 HA :: 3.696 HB2 :: 1.095 HB3 :: 0.974 HG2 :: 1.253 HG3 :: 1.032 HD2 :: 2.082(S) HD3 :: 1.588(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.533 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 G 0.28 K 0.24 HN Overlap>> 1.E84 1.E84 C Shift Assignments>> C :: 175.051 CA :: 54.297 CB :: 33.555 CG :: 27.356 CD :: 43.627 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.660 HA :: 4.642 HB2 :: 1.376 HB3 :: 1.340 HG2 :: 1.285 HG3 :: 1.422 HD2 :: 2.838 HD3 :: 2.918 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.057 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 G 0.22 HN Overlap>> 1.E83 1.E83 C Shift Assignments>> C :: 173.159 CA :: 57.359 CB :: 43.426 CD1 :: 131.753 CD2 :: 131.753 CE1 :: 131.684 CE2 :: 131.684 CZ :: 127.960 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.714 HA :: 5.020 HB2 :: 2.808 HB3 :: 2.477 HD1 :: 6.800 HD2 :: 6.800 HE1 :: 7.174 HE2 :: 7.174 HZ :: 6.359 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.519 Ave N Shift Values>> N :: 120.69(4.18) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 Q 0.1 E 0.07 C Shift Assignments>> C :: 175.559 CA :: 52.975 CB :: 33.399 CG :: 34.309 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.404 HA :: 4.996 HB2 :: 1.885 HB3 :: 1.714 HG2 :: 1.719 HG3 :: 2.048 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.679 Ave N Shift Values>> N :: 120.68(3.68) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.065 CA :: 64.296 CB :: 67.635 CG2 :: 21.663 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.801 HA :: 4.108 HB :: 4.035 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.320 Ave N Shift Values>> N :: 115.7(5.05) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 K 0.41 C Shift Assignments>> C :: 176.574 CA :: 55.858 CB :: 30.930 CG :: 26.914 CD :: 41.722 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.150 HA :: 4.283 HB2 :: 1.729 HB3 :: 1.521 HG2 :: 1.552 HG3 :: 1.552 HD2 :: 3.156 HD3 :: 3.091 HE :: 8.299 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.709 NE :: 83.866 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.28 A 0.14 C Shift Assignments>> C :: 174.509 CA :: 54.222 CB :: 47.315 CG :: 26.919 CD1 :: 27.201 CD2 :: 23.439 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.520 HA :: 4.480 HB2 :: 1.312 HB3 :: 1.254 HG :: 1.327 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 0.914 HD22 :: 0.914 HD23 :: 0.914 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.021 Ave N Shift Values>> N :: 121.98(4.07) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.1 L 0.05 C Shift Assignments>> C :: 176.343 CA :: 50.324 CB :: 21.074 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.600 HA :: 4.999 HB1 :: 1.067 HB2 :: 1.067 HB3 :: 1.067 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.663 Ave N Shift Values>> N :: 123.23(3.7) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 175.173 CA :: 47.520 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.730 HA2 :: 3.706 HA3 :: 3.306 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.411 Ave N Shift Values>> N :: 109.91(4.29) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 I 0.02 A 0.01 C Shift Assignments>> C :: 175.208 CA :: 59.289 CB :: 34.226 CG1 :: 22.216 CG2 :: 19.644 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.380 HA :: 4.643 HB :: 2.294 HG11 :: 0.748 HG12 :: 0.748 HG13 :: 0.748 HG21 :: 0.597 HG22 :: 0.597 HG23 :: 0.597 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.611 Ave N Shift Values>> N :: 121.02(4.96) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.19 K 0.07 I 0.05 Q 0.02 C Shift Assignments>> C :: 178.955 CA :: 55.631 CB :: 30.535 CG :: 36.773 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.415 HA :: 4.451 HB2 :: 2.237 HB3 :: 1.895 HG2 :: 2.290 HG3 :: 2.203 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.186 Ave N Shift Values>> N :: 120.68(3.68) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 P 0.08 A 0.05 L 0.03 N 0.02 C Shift Assignments>> C :: 176.446 CA :: 47.629 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.834 HA2 :: 3.810 HA3 :: 3.518 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.312 Ave N Shift Values>> N :: 109.91(4.29) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.35 K 0.11 Q 0.03 M 0.02 HN Overlap>> 1.F73 1.F73 C Shift Assignments>> C :: 179.046 CA :: 59.403 CB :: 29.005 CG :: 36.380 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.747 HA :: 3.972 HB2 :: 1.906 HB3 :: 1.859 HG2 :: 2.201 HG3 :: 2.163 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.416 Ave N Shift Values>> N :: 120.68(3.68) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.38 K 0.07 M 0.02 Q 0.01 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 179.682 CA :: 59.213 CB :: 29.473 CG :: 36.929 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.588 HA :: 4.003 HB2 :: 2.064 HB3 :: 1.966 HG2 :: 2.241 HG3 :: 2.093 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.110 Ave N Shift Values>> N :: 120.68(3.68) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.308 CA :: 64.055 CB :: 36.836 CG1 :: 28.565 CG2 :: 17.637 CD1 :: 13.809 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.936 HA :: 3.356 HB :: 2.009 HG12 :: 1.505 HG13 :: 0.946 HG21 :: 0.700 HG22 :: 0.700 HG23 :: 0.700 HD11 :: 0.495 HD12 :: 0.495 HD13 :: 0.495 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.268 Ave N Shift Values>> N :: 121.6(4.72) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 C Shift Assignments>> C :: 180.345 CA :: 55.103 CB :: 17.928 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.292 HA :: 3.787 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.052 Ave N Shift Values>> N :: 123.23(3.7) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.03 C Shift Assignments>> C :: 180.272 CA :: 54.765 CB :: 17.949 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.516 HA :: 4.006 HB1 :: 1.341 HB2 :: 1.341 HB3 :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.052 Ave N Shift Values>> N :: 123.23(3.7) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.19 K 0.02 C Shift Assignments>> C :: 174.921 CA :: 58.290 CB :: 41.610 CG :: 27.667 CD1 :: 25.633 CD2 :: 24.841 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.285 HA :: 4.042 HB2 :: 1.621 HB3 :: 1.621 HG :: 1.525 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.211 Ave N Shift Values>> N :: 121.98(4.07) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.17 A 0.03 HN Overlap>> 1.S97 1.S97 C Shift Assignments>> C :: 178.855 CA :: 57.476 CB :: 41.478 CG :: 26.441 CD1 :: 26.865 CD2 :: 22.154 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.472 HA :: 3.486 HB2 :: 1.736 HB3 :: 0.980 HG :: 1.508 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 HD21 :: 0.226 HD22 :: 0.226 HD23 :: 0.226 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.740 Ave N Shift Values>> N :: 121.98(4.07) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.3 K 0.15 Q 0.07 M 0.01 C Shift Assignments>> C :: 178.738 CA :: 59.511 CB :: 28.855 CG :: 35.958 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.926 HA :: 3.726 HB2 :: 1.929 HB3 :: 1.929 HG2 :: 2.133 HG3 :: 2.078 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.669 Ave N Shift Values>> N :: 120.68(3.68) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.22 K 0.06 L 0.01 C Shift Assignments>> C :: 178.920 CA :: 59.544 CB :: 29.723 CG :: 27.639 CD :: 43.689 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.069 HA :: 3.762 HB2 :: 1.881 HB3 :: 1.881 HG2 :: 1.689 HG3 :: 1.406 HD2 :: 3.103 HD3 :: 3.103 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.088 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 K 0.27 Q 0.26 I 0.11 R 0.04 M 0.01 C Shift Assignments>> C :: 180.250 CA :: 58.661 CB :: 28.073 CG :: 34.895 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.170 HA :: 4.021 HB2 :: 1.723 HB3 :: 1.357 HG2 :: 2.196 HG3 :: 1.764 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.768 Ave N Shift Values>> N :: 120.68(3.68) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.15 G 0.15 C Shift Assignments>> C :: 177.592 CA :: 57.744 CB :: 30.325 CG :: 28.116 CD :: 43.608 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.355 HA :: 4.003 HB2 :: 1.686 HB3 :: 1.598 HG2 :: 1.597 HG3 :: 1.427 HD2 :: 2.952 HD3 :: 2.843 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.179 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.14 K 0.1 L 0.03 C Shift Assignments>> C :: 177.986 CA :: 58.462 CB :: 29.565 CG :: 27.723 CD :: 43.476 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.232 HA :: 3.788 HB2 :: 1.630 HB3 :: 1.526 HG2 :: 1.248 HG3 :: 1.248 HD2 :: 2.934 HD3 :: 2.934 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.441 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 175.728 CA :: 58.210 CB :: 39.724 CD1 :: 131.933 CD2 :: 131.933 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.048 HA :: 4.474 HB2 :: 3.218 HB3 :: 2.889 HD1 :: 7.235 HD2 :: 7.235 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.951 Ave N Shift Values>> N :: 120.69(4.18) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 K 0.12 N 0.12 F 0.06 R 0.05 Y 0.04 C Shift Assignments>> C :: 179.474 CA :: 53.103 CB :: 41.634 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.793 HA :: 4.703 HB2 :: 2.809 HB3 :: 2.467 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.328 Ave N Shift Values>> N :: 120.73(4.2) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L89 1.L89 C Shift Assignments>> C :: 175.549 CA :: 60.047 CB :: 63.408 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.490 HA :: 4.204 HB2 :: 3.908 HB3 :: 3.816 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.740 Ave N Shift Values>> N :: 116.3(3.95) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.22 K 0.16 R 0.14 F 0.06 Y 0.05 N 0.03 G 0.01 HN Overlap>> 1.V19 1.V19 1.Q58 1.Q58 C Shift Assignments>> C :: 175.547 CA :: 54.380 CB :: 42.267 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.229 HA :: 4.684 HB2 :: 2.878 HB3 :: 2.818 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.306 Ave N Shift Values>> N :: 120.73(4.2) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.34 K 0.03 G 0.03 C Shift Assignments>> C :: 176.224 CA :: 55.691 CB :: 42.272 CG :: 26.281 CD1 :: 27.510 CD2 :: 25.753 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.613 HA :: 4.801 HB2 :: 1.910 HB3 :: 1.910 HG :: 1.600 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 HD21 :: 0.495 HD22 :: 0.495 HD23 :: 0.495 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.774 Ave N Shift Values>> N :: 121.98(4.07) 1.W100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.91 H 0.08 C Shift Assignments>> C :: 176.737 CA :: 55.634 CB :: 31.794 CD1 :: 127.231 CE3 :: 120.286 CZ2 :: 114.217 CZ3 :: 123.044 CH2 :: 125.277 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.750 HA :: 4.757 HB2 :: 3.223 HB3 :: 3.142 HD1 :: 7.084 HE1 :: 10.214 HE3 :: 7.540 HZ2 :: 6.981 HZ3 :: 7.248 HH2 :: 7.261 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.649 NE1 :: 130.478 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.816 CA :: 61.998 CB :: 34.180 CG1 :: 21.720 CG2 :: 21.181 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.096 HA :: 5.018 HB :: 1.761 HG11 :: 0.758 HG12 :: 0.758 HG13 :: 0.758 HG21 :: 0.705 HG22 :: 0.705 HG23 :: 0.705 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.960 Ave N Shift Values>> N :: 121.02(4.96) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 C Shift Assignments>> C :: 173.388 CA :: 60.987 CB :: 34.654 CG1 :: 22.835 CG2 :: 20.788 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.113 HA :: 4.546 HB :: 1.925 HG11 :: 0.969 HG12 :: 0.969 HG13 :: 0.969 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.775 Ave N Shift Values>> N :: 121.02(4.96) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 E 0.42 Q 0.05 K 0.02 C Shift Assignments>> C :: 175.058 CA :: 54.158 CB :: 31.835 CG :: 36.120 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.226 HA :: 5.376 HB2 :: 2.037 HB3 :: 1.929 HG2 :: 2.172 HG3 :: 2.033 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.249 Ave N Shift Values>> N :: 120.68(3.68) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 G 0.04 A 0.01 C Shift Assignments>> C :: 173.727 CA :: 59.226 CB :: 42.192 CG1 :: 26.544 CG2 :: 17.550 CD1 :: 13.935 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.141 HA :: 5.021 HB :: 1.458 HG12 :: 0.882 HG13 :: 1.347 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 HD11 :: 0.380 HD12 :: 0.380 HD13 :: 0.380 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.638 Ave N Shift Values>> N :: 121.6(4.72) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.31 Q 0.06 K 0.06 I 0.02 C Shift Assignments>> C :: 174.832 CA :: 55.362 CB :: 31.160 CG :: 36.186 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.018 HA :: 4.800 HB2 :: 2.021 HB3 :: 1.815 HG2 :: 2.065 HG3 :: 2.065 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.842 Ave N Shift Values>> N :: 120.68(3.68) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 S 0.16 C Shift Assignments>> C :: 172.175 CA :: 60.772 CB :: 67.599 CG2 :: 18.852 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.678 HA :: 4.424 HB :: 4.214 HG21 :: 0.687 HG22 :: 0.687 HG23 :: 0.687 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.569 Ave N Shift Values>> N :: 115.7(5.05) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.21 D 0.19 F 0.12 Y 0.1 R 0.07 N 0.03 I 0.01 HN Overlap>> 1.L45 1.L45 C Shift Assignments>> C :: 176.214 CA :: 55.771 CB :: 41.463 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.400 HA :: 4.635 HB2 :: 2.666 HB3 :: 2.479 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.388 Ave N Shift Values>> N :: 120.73(4.2) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 M 0.33 Q 0.13 K 0.09 I 0.01 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> C :: 175.340 CA :: 54.564 CB :: 30.953 CG :: 35.636 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.995 HA :: 4.524 HB2 :: 1.853 HB3 :: 1.671 HG2 :: 2.001 HG3 :: 2.001 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.222 Ave N Shift Values>> N :: 120.68(3.68) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.324 CA :: 60.148 CB :: 38.950 CG1 :: 27.943 CG2 :: 17.981 CD1 :: 13.591 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.389 HA :: 3.853 HB :: 1.526 HG12 :: 0.807 HG13 :: 0.918 HG21 :: 0.612 HG22 :: 0.612 HG23 :: 0.612 HD11 :: 0.295 HD12 :: 0.295 HD13 :: 0.295 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.088 Ave N Shift Values>> N :: 121.6(4.72) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.021 CA :: 46.530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.534 HA2 :: 3.744 HA3 :: 3.705 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.224 Ave N Shift Values>> N :: 109.91(4.29) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.417 CA :: 61.287 CB :: 68.657 CG2 :: 21.596 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.892 HA :: 4.255 HB :: 4.263 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.278 Ave N Shift Values>> N :: 115.7(5.05) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.18 G 0.12 A 0.01 C Shift Assignments>> C :: 175.715 CA :: 56.661 CB :: 43.310 CG :: 26.464 CD1 :: 26.592 CD2 :: 23.219 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.950 HA :: 3.887 HB2 :: 1.528 HB3 :: 0.898 HG :: 1.514 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 HD21 :: 0.482 HD22 :: 0.482 HD23 :: 0.482 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.017 Ave N Shift Values>> N :: 121.98(4.07) 1.L113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.62 L 0.29 A 0.07 C Shift Assignments>> C :: 175.563 CA :: 52.377 CB :: 44.890 CG :: 26.049 CD1 :: 22.875 CD2 :: 24.441 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.003 HA :: 4.327 HB2 :: 0.881 HB3 :: 0.881 HG :: 0.877 HD11 :: 0.048 HD12 :: 0.048 HD13 :: 0.048 HD21 :: -0.259(S) HD22 :: -0.259(S) HD23 :: -0.259(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 113.184 Ave N Shift Values>> N :: 121.98(4.07) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.117 CA :: 62.838 CB :: 68.245 CG2 :: 22.193 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.101 HA :: 4.079 HB :: 4.241 HG21 :: 1.040 HG22 :: 1.040 HG23 :: 1.040 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.602 Ave N Shift Values>> N :: 115.7(5.05) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 G 0.14 R 0.06 A 0.01 C Shift Assignments>> C :: 178.488 CA :: 52.953 CB :: 43.316 CG :: 26.902 CD1 :: 25.343 CD2 :: 24.420 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.461 HA :: 4.985 HB2 :: 1.529 HB3 :: 1.374 HG :: 1.253 HD11 :: 0.599 HD12 :: 0.599 HD13 :: 0.599 HD21 :: 0.385 HD22 :: 0.385 HD23 :: 0.385 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.372 Ave N Shift Values>> N :: 121.98(4.07) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.638 CA :: 61.559 CB :: 32.128 CG1 :: 21.755 CG2 :: 19.353 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.550 HA :: 4.141 HB :: 2.102 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.300 Ave N Shift Values>> N :: 121.02(4.96) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.2 N 0.15 K 0.11 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 175.610 CA :: 53.586 CB :: 41.131 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.095 HA :: 4.561 HB2 :: 2.576 HB3 :: 2.576 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.410 Ave N Shift Values>> N :: 120.73(4.2) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.34 M 0.12 R 0.08 E 0.06 C Shift Assignments>> CA :: 53.464 CB :: 29.143 CG :: 33.405 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.048 HA :: 4.539 HB2 :: 1.978 HB3 :: 1.810 HG2 :: 2.269 HG3 :: 2.269 HE21 :: 7.498 HE22 :: 6.790 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.387 NE2 :: 112.747 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.819 CA :: 63.073 CB :: 32.117 CG :: 27.282 CD :: 50.536 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.314 HB2 :: 2.185 HB3 :: 1.798 HG2 :: 1.905 HG3 :: 1.905 HD2 :: 3.668 HD3 :: 3.541 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.3 E 0.14 M 0.12 R 0.05 C Shift Assignments>> C :: 174.745 CA :: 55.531 CB :: 29.529 CG :: 33.780 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.404 HA :: 4.172 HB2 :: 2.001 HB3 :: 1.846 HG2 :: 2.280 HG3 :: 2.280 HE21 :: 6.753 HE22 :: 7.492 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.403 NE2 :: 113.116 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.31 L 0.04 C Shift Assignments>> CA :: 53.681 CB :: 20.085 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.894 HA :: 3.983 HB1 :: 1.194 HB2 :: 1.194 HB3 :: 1.194 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.396 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 117 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 1 C Shift Results: #Consistent: 513 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 821 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 122 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A26 CB = 25.150(S), Expected = 18.90, Std = 1.8500, ChiSquare = 7.2915e-04 1.A26 H = 5.579(S), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2520e-05 1.G32 H = 3.335(S), Expected = 8.34, Std = 0.7400, ChiSquare = 1.3468e-11 1.G32 HA3 = 2.313(S), Expected = 3.93, Std = 0.4000, ChiSquare = 5.2884e-05 1.G32 SRO Rule Break>> H > HA2 : 0.99798460974716 1.R71 HD2 = 2.082(S), Expected = 3.13, Std = 0.2300, ChiSquare = 5.2008e-06 1.R71 HD3 = 1.588(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.3987e-12 1.L113 HD21 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L113 HD22 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L113 HD23 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04