Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.391 CA :: 45.433 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.485 HA2 :: 4.007 HA3 :: 4.007 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.992 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.05 Q 0.03 HN Overlap>> 1.D55 1.D55 C Shift Assignments>> C :: 176.830 CA :: 56.829 CB :: 30.252 CG :: 36.370 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 :: 8.343 HA :: 4.310 HB2 :: 2.107 HB3 :: 1.969 HG2 :: 2.271 HG3 :: 2.271 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 :: 120.484 Ave N Shift Values>> N :: 120.68(3.68) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.05 Q 0.04 HN Overlap>> 1.W40 1.W40 C Shift Assignments>> C :: 176.454 CA :: 56.854 CB :: 30.197 CG :: 36.365 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 :: 8.625 HA :: 4.296 HB2 :: 2.045 HB3 :: 2.045 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.418 Ave N Shift Values>> N :: 120.68(3.68) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 175.860 CA :: 54.328 CB :: 41.120 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 :: 8.427 HA :: 4.658 HB2 :: 2.729 HB3 :: 2.664 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 :: 121.674 Ave N Shift Values>> N :: 120.73(4.2) 1.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 W 0.37 H 0.02 C Shift Assignments>> C :: 177.620 CA :: 54.712 CB :: 30.642 CD1 :: 125.079 CE3 :: 120.447 CZ2 :: 115.775 CZ3 :: 122.450 CH2 :: 125.683 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 :: 8.422 HA :: 5.133 HB2 :: 3.367 HB3 :: 3.105 HD1 :: 7.709 HE1 :: 10.476 HE3 :: 7.501 HZ2 :: 7.393 HZ3 :: 7.065 HH2 :: 6.917 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 :: 123.712 NE1 :: 130.052 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.187 CA :: 63.686 CB :: 32.765 CG1 :: 20.668 CG2 :: 20.668 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 :: 8.679 HA :: 4.025 HB :: 2.205 HG11 :: 0.957 HG12 :: 0.957 HG13 :: 0.957 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 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 :: 124.672 Ave N Shift Values>> N :: 121.02(4.96) 1.L13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 L 0.09 C Shift Assignments>> CA :: 58.169 CB :: 37.588 CG :: 26.345 CD1 :: 24.255 CD2 :: 26.134 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 :: 5.455(S) HA :: 3.996 HB2 :: 0.097(S) HB3 :: -0.585(S) HG :: 0.125(S) HD11 :: 0.149 HD12 :: 0.149 HD13 :: 0.149 HD21 :: -0.540(S) HD22 :: -0.540(S) HD23 :: -0.540(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 :: 118.647 Ave N Shift Values>> N :: 121.98(4.07) 1.P14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.5 C 0.26 G 0.22 C Shift Assignments>> C :: 179.756 CA :: 66.769 CB :: 30.614 CG :: 28.528 CD :: 48.532 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 :: 3.937 HB2 :: 2.451 HB3 :: 1.914 HG2 :: 2.162 HG3 :: 1.648 HD2 :: 3.184 HD3 :: 2.241(S) 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.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.382 CA :: 61.325 CB :: 62.550 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.761 HA :: 4.268 HB2 :: 3.932 HB3 :: 3.932 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 :: 112.336 Ave N Shift Values>> N :: 116.3(3.95) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.22 K 0.04 M 0.03 Q 0.01 C Shift Assignments>> C :: 179.574 CA :: 59.854 CB :: 30.051 CG :: 36.448 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 :: 8.057 HA :: 3.989 HB2 :: 2.211 HB3 :: 2.002 HG2 :: 2.315 HG3 :: 1.993 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 :: 125.790 Ave N Shift Values>> N :: 120.68(3.68) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.916 CA :: 67.135 CB :: 31.283 CG1 :: 23.053 CG2 :: 24.650 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 :: 8.609 HA :: 3.445 HB :: 2.228 HG11 :: 1.067 HG12 :: 1.067 HG13 :: 1.067 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.794 Ave N Shift Values>> N :: 121.02(4.96) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.28 K 0.04 M 0.01 C Shift Assignments>> C :: 180.217 CA :: 59.886 CB :: 29.554 CG :: 36.752 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 :: 7.735 HA :: 4.235 HB2 :: 2.228 HB3 :: 2.125 HG2 :: 2.509 HG3 :: 2.265 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.872 Ave N Shift Values>> N :: 120.68(3.68) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.962 CA :: 66.579 CB :: 31.299 CG1 :: 21.208 CG2 :: 22.632 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.577 HA :: 3.693 HB :: 2.298 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 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 :: 120.217 Ave N Shift Values>> N :: 121.02(4.96) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.37 R 0.1 G 0.02 HN Overlap>> 1.Q57 1.Q57 C Shift Assignments>> C :: 179.719 CA :: 58.388 CB :: 42.388 CG :: 26.215 CD1 :: 26.479 CD2 :: 22.912 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 :: 8.348 HA :: 4.056 HB2 :: 2.195 HB3 :: 1.557 HG :: 2.224 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 1.052 HD22 :: 1.052 HD23 :: 1.052 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 :: 120.722 Ave N Shift Values>> N :: 121.98(4.07) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.35 E 0.22 M 0.01 K 0.01 C Shift Assignments>> C :: 179.209 CA :: 60.117 CB :: 30.002 CG :: 37.817 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 :: 9.078 HA :: 3.992 HB2 :: 2.276 HB3 :: 2.007 HG2 :: 2.551 HG3 :: 2.214 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 :: 119.565 Ave N Shift Values>> N :: 120.68(3.68) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.149 CA :: 60.688 CB :: 63.692 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.539 HA :: 4.351 HB2 :: 4.025 HB3 :: 4.025 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 :: 114.323 Ave N Shift Values>> N :: 116.3(3.95) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.304 CA :: 63.780 CB :: 40.147 CG1 :: 27.800 CG2 :: 16.009 CD1 :: 14.046 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 :: 7.402 HA :: 3.791 HB :: 1.332 HG12 :: 1.567 HG13 :: 0.765 HG21 :: 0.134 HG22 :: 0.134 HG23 :: 0.134 HD11 :: 0.519 HD12 :: 0.519 HD13 :: 0.519 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 :: 121.887 Ave N Shift Values>> N :: 121.6(4.72) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.138 CA :: 59.017 CB :: 40.155 CD1 :: 132.595 CD2 :: 132.595 CE1 :: 117.751 CE2 :: 117.751 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.265 HA :: 4.489 HB2 :: 3.069 HB3 :: 2.586 HD1 :: 7.153 HD2 :: 7.153 HE1 :: 6.628 HE2 :: 6.628 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 :: 116.806 Ave N Shift Values>> N :: 120.79(4.69) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.46 A 0.02 C Shift Assignments>> C :: 177.486 CA :: 56.010 CB :: 39.641 CG :: 27.063 CD1 :: 25.708 CD2 :: 23.019 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 :: 7.959 HA :: 4.177 HB2 :: 2.087 HB3 :: 1.578 HG :: 1.508 HD11 :: 0.943 HD12 :: 0.943 HD13 :: 0.943 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.666 Ave N Shift Values>> N :: 121.98(4.07) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.16 Y 0.15 C 0.15 L 0.12 N 0.09 K 0.05 I 0.02 C Shift Assignments>> C :: 176.770 CA :: 55.684 CB :: 40.161 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 :: 8.278 HA :: 4.526 HB2 :: 2.779 HB3 :: 2.779 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 :: 118.796 Ave N Shift Values>> N :: 120.73(4.2) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 I 0.13 M 0.04 K 0.04 C Shift Assignments>> C :: 176.005 CA :: 57.669 CB :: 30.071 CG :: 37.177 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 :: 7.883 HA :: 4.246 HB2 :: 2.346 HB3 :: 2.101 HG2 :: 2.524 HG3 :: 2.300 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 :: 116.370 Ave N Shift Values>> N :: 120.68(3.68) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.24 L 0.15 R 0.06 C Shift Assignments>> C :: 174.938 CA :: 54.179 CB :: 45.075 CG :: 27.074 CD1 :: 25.485 CD2 :: 27.570 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 :: 7.531 HA :: 4.603 HB2 :: 2.010 HB3 :: 1.223 HG :: 1.392 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 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 :: 120.891 Ave N Shift Values>> N :: 121.98(4.07) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 M 0.21 K 0.16 E 0.09 R 0.01 C Shift Assignments>> C :: 174.027 CA :: 54.439 CB :: 30.392 CG :: 33.768 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 :: 8.702 HA :: 4.580 HB2 :: 1.638 HB3 :: 1.229 HG2 :: 2.150 HG3 :: 2.064 HE21 :: 7.075 HE22 :: 6.688 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 :: 126.073 NE2 :: 112.370 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 175.362 CA :: 60.737 CB :: 34.881 CG1 :: 21.434 CG2 :: 21.453 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 :: 8.473 HA :: 4.830 HB :: 1.919 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.609 Ave N Shift Values>> N :: 121.02(4.96) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.812 CA :: 60.351 CB :: 37.838 CG1 :: 27.056 CG2 :: 17.490 CD1 :: 12.787 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 :: 9.650 HA :: 4.182 HB :: 1.986 HG12 :: 1.482 HG13 :: 1.135 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 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 :: 130.493 Ave N Shift Values>> N :: 121.6(4.72) 1.K32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.24 M 0.02 C Shift Assignments>> C :: 176.794 CA :: 56.657 CB :: 32.658 CG :: 25.633 CD :: 29.427 CE :: 42.030 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 :: 8.416 HA :: 2.826 HB2 :: 1.081 HB3 :: 0.642(S) HG2 :: 0.787 HG3 :: -0.036(S) HD2 :: 1.279 HD3 :: 1.279 HE2 :: 2.725 HE3 :: 2.725 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 :: 127.182 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> G 0.61 L 0.15 R 0.09 C 0.09 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.836 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.195(S) HA2 :: 3.964 HA3 :: 3.529 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.18 D 0.12 Y 0.06 F 0.04 E 0.02 L 0.01 M 0.01 C Shift Assignments>> CA :: 52.678 CB :: 38.147 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 :: 8.425 HA :: 4.774 HB2 :: 2.803 HB3 :: 2.742 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 :: 119.106 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.746 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.471 HA2 :: 4.226 HA3 :: 4.085 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.032 Ave N Shift Values>> N :: 109.91(4.29) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.43 C 0.35 K 0.16 G 0.02 L 0.01 C Shift Assignments>> C :: 176.770 CA :: 56.329 CB :: 30.351 CG :: 27.128 CD :: 42.717 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>> HA :: 4.285 HB2 :: 1.718 HB3 :: 1.516 HG2 :: 1.306 HG3 :: 0.907 HD2 :: 2.751 HD3 :: 2.546 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) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.476 CA :: 61.844 CB :: 69.361 CG2 :: 21.653 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.011 HA :: 4.297 HB :: 4.477 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 106.899 Ave N Shift Values>> N :: 115.7(5.05) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.284 CA :: 56.537 CB :: 63.775 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.576 HA :: 4.983 HB2 :: 3.997 HB3 :: 3.928 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 :: 118.288 Ave N Shift Values>> N :: 116.3(3.95) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.306 CB :: 32.987 CG :: 27.326 CD :: 50.930 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 :: 4.973 HB2 :: 2.227 HB3 :: 1.843 HG2 :: 2.038 HG3 :: 2.038 HD2 :: 3.956 HD3 :: 3.800 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.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.47 H 0.01 HN Overlap>> 1.V97 1.E9 1.V97 1.E9 C Shift Assignments>> C :: 175.277 CA :: 56.013 CB :: 30.757 CD1 :: 124.842 CE3 :: 119.585 CZ2 :: 115.256 CZ3 :: 121.714 CH2 :: 124.460 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 :: 8.613 HA :: 5.159 HB2 :: 3.056 HB3 :: 2.853 HD1 :: 7.903 HE1 :: 10.850 HE3 :: 7.045 HZ2 :: 7.665 HZ3 :: 6.875 HH2 :: 7.182 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 :: 121.403 NE1 :: 131.496 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.15 E 0.14 C Shift Assignments>> C :: 174.015 CA :: 55.300 CB :: 33.481 CG :: 37.189 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 :: 8.859 HA :: 5.365 HB2 :: 2.006 HB3 :: 1.963 HG2 :: 2.154 HG3 :: 2.016 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.609 Ave N Shift Values>> N :: 120.68(3.68) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.47 C Shift Assignments>> C :: 173.724 CA :: 59.648 CB :: 41.517 CG1 :: 28.799 CG2 :: 18.230 CD1 :: 15.277 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 :: 8.979 HA :: 5.001 HB :: 1.695 HG12 :: 1.560 HG13 :: 1.184 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.214 Ave N Shift Values>> N :: 121.6(4.72) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.38 C Shift Assignments>> C :: 174.695 CA :: 55.416 CB :: 41.699 CD1 :: 133.314 CD2 :: 133.314 CE1 :: 118.530 CE2 :: 118.530 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 :: 9.099 HA :: 5.724 HB2 :: 2.896 HB3 :: 2.811 HD1 :: 6.860 HD2 :: 6.860 HE1 :: 6.653 HE2 :: 6.653 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 :: 123.037 Ave N Shift Values>> N :: 120.79(4.69) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.4 HN Overlap>> 1.L98 1.L98 C Shift Assignments>> C :: 172.887 CA :: 60.184 CB :: 40.746 CG1 :: 28.298 CG2 :: 14.283 CD1 :: 14.780 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 :: 8.522 HA :: 4.774 HB :: 1.804 HG12 :: 0.632 HG13 :: 1.451 HG21 :: 0.623 HG22 :: 0.623 HG23 :: 0.623 HD11 :: 0.309 HD12 :: 0.309 HD13 :: 0.309 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 :: 118.151 Ave N Shift Values>> N :: 121.6(4.72) 1.T45 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 :: 172.352 CA :: 63.145 CB :: 68.725 CG2 :: 21.675 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 :: 9.169 HA :: 4.615 HB :: 4.034 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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 :: 127.036 Ave N Shift Values>> N :: 115.7(5.05) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.22 C 0.16 A 0.03 R 0.02 HN Overlap>> 1.I78 1.I78 C Shift Assignments>> C :: 173.942 CA :: 53.131 CB :: 43.843 CG :: 26.100 CD1 :: 25.863 CD2 :: 23.416 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 :: 8.605 HA :: 4.401 HB2 :: 0.781 HB3 :: 0.721 HG :: 1.330 HD11 :: 0.650 HD12 :: 0.650 HD13 :: 0.650 HD21 :: 0.554 HD22 :: 0.554 HD23 :: 0.554 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 :: 128.140 Ave N Shift Values>> N :: 121.98(4.07) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.33 C 0.23 C Shift Assignments>> C :: 172.279 CA :: 53.047 CB :: 30.413 CD2 :: 121.456 CE1 :: 136.744 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.137 HA :: 4.910 HB2 :: 3.235 HB3 :: 2.905 HD2 :: 7.076 HE1 :: 8.260 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.360 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.430 CA :: 62.337 CB :: 32.449 CG :: 27.588 CD :: 50.701 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 :: 4.396 HB2 :: 2.174 HB3 :: 2.016 HG2 :: 2.098 HG3 :: 1.899 HD2 :: 3.866 HD3 :: 3.785 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.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.24 C 0.02 C Shift Assignments>> C :: 177.632 CA :: 52.918 CB :: 18.864 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.555 HA :: 4.379 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.183 Ave N Shift Values>> N :: 123.23(3.7) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.051 CA :: 60.834 CB :: 70.215 CG2 :: 21.772 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 :: 7.897 HA :: 4.401 HB :: 4.309 HG21 :: 1.168 HG22 :: 1.168 HG23 :: 1.168 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 :: 111.732 Ave N Shift Values>> N :: 115.7(5.05) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.19 C 0.03 L 0.01 C Shift Assignments>> C :: 177.741 CA :: 52.468 CB :: 19.641 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.329 HA :: 4.374 HB1 :: 1.398 HB2 :: 1.398 HB3 :: 1.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.587 Ave N Shift Values>> N :: 123.23(3.7) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.09 K 0.08 I 0.06 Q 0.04 C Shift Assignments>> C :: 176.406 CA :: 57.073 CB :: 30.186 CG :: 36.312 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 :: 8.475 HA :: 4.199 HB2 :: 2.049 HB3 :: 1.896 HG2 :: 2.238 HG3 :: 2.238 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 :: 119.571 Ave N Shift Values>> N :: 120.68(3.68) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.17 C 0.11 N 0.11 K 0.1 F 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.412 CA :: 54.365 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 :: 8.308 HA :: 4.484 HB2 :: 2.691 HB3 :: 2.691 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 :: 119.350 Ave N Shift Values>> N :: 120.73(4.2) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.24 E 0.11 M 0.06 R 0.05 C Shift Assignments>> C :: 176.030 CA :: 56.424 CB :: 29.239 CG :: 33.754 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 :: 8.198 HA :: 4.261 HB2 :: 2.132 HB3 :: 1.982 HG2 :: 2.333 HG3 :: 2.333 HE21 :: 7.543 HE22 :: 6.839 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 :: 119.432 NE2 :: 112.689 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.19 K 0.13 C 0.11 F 0.1 Y 0.08 N 0.07 R 0.03 HN Overlap>> 1.E8 1.E8 C Shift Assignments>> C :: 176.683 CA :: 54.911 CB :: 41.102 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 :: 8.326 HA :: 4.608 HB2 :: 2.752 HB3 :: 2.682 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 :: 120.497 Ave N Shift Values>> N :: 120.73(4.2) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.440 CA :: 58.926 CB :: 63.784 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.119 HA :: 4.350 HB2 :: 3.852 HB3 :: 3.792 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 :: 115.916 Ave N Shift Values>> N :: 116.3(3.95) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 E 0.1 M 0.06 R 0.05 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 175.495 CA :: 55.615 CB :: 29.072 CG :: 33.750 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 :: 8.265 HA :: 4.300 HB2 :: 2.048 HB3 :: 1.945 HG2 :: 2.216 HG3 :: 2.216 HE21 :: 7.487 HE22 :: 6.804 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 :: 120.771 NE2 :: 112.676 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 HN Overlap>> 1.D124 1.D124 1.I94 1.I94 C Shift Assignments>> C :: 175.022 CA :: 59.094 CB :: 39.162 CD1 :: 133.048 CD2 :: 133.048 CE1 :: 118.194 CE2 :: 118.194 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.233 HA :: 4.433 HB2 :: 3.039 HB3 :: 2.986 HD1 :: 7.052 HD2 :: 7.052 HE1 :: 6.780 HE2 :: 6.780 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 :: 121.939 Ave N Shift Values>> N :: 120.79(4.69) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.144 CA :: 60.324 CB :: 33.994 CG1 :: 20.960 CG2 :: 21.645 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.435 HA :: 4.689 HB :: 1.918 HG11 :: 1.005 HG12 :: 1.005 HG13 :: 1.005 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 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 :: 119.002 Ave N Shift Values>> N :: 121.02(4.96) 1.C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 E 0.14 W 0.13 C 0.12 Q 0.12 K 0.08 M 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 172.388 CA :: 56.859 CB :: 30.269 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.547 HA :: 5.012 HB2 :: 2.822 HB3 :: 2.718 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.024 Ave N Shift Values>> N :: 119.95(4.79) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 171.964 CA :: 57.956 CB :: 40.379 CD1 :: 132.530 CD2 :: 132.530 CE1 :: 130.357 CE2 :: 130.357 CZ :: 129.074 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 :: 7.844 HA :: 4.774 HB2 :: 3.347 HB3 :: 2.762 HD1 :: 6.869 HD2 :: 6.869 HE1 :: 7.022 HE2 :: 7.022 HZ :: 6.924 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 :: 111.174 Ave N Shift Values>> N :: 120.69(4.18) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.364 CA :: 62.312 CB :: 69.498 CG2 :: 20.959 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.639 HA :: 4.858 HB :: 4.005 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 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 :: 117.127 Ave N Shift Values>> N :: 115.7(5.05) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.26 R 0.17 G 0.14 A 0.01 C Shift Assignments>> C :: 173.542 CA :: 54.376 CB :: 43.533 CG :: 27.095 CD1 :: 24.118 CD2 :: 27.056 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.186 HA :: 4.591 HB2 :: 2.056 HB3 :: 1.285 HG :: 1.416 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.747 HD22 :: 0.747 HD23 :: 0.747 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 :: 133.298 Ave N Shift Values>> N :: 121.98(4.07) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.998 CA :: 61.192 CB :: 32.170 CG1 :: 20.420 CG2 :: 20.396 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 :: 8.711 HA :: 4.611 HB :: 2.015 HG11 :: 0.516 HG12 :: 0.516 HG13 :: 0.516 HG21 :: 0.594 HG22 :: 0.594 HG23 :: 0.594 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 :: 126.474 Ave N Shift Values>> N :: 121.02(4.96) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.29 C 0.18 R 0.04 C Shift Assignments>> C :: 175.229 CA :: 52.266 CB :: 43.823 CG :: 26.784 CD1 :: 25.862 CD2 :: 26.089 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.262 HA :: 5.064 HB2 :: 1.876 HB3 :: 0.827 HG :: 1.490 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 125.836 Ave N Shift Values>> N :: 121.98(4.07) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.18 E 0.16 M 0.12 R 0.01 C Shift Assignments>> C :: 175.459 CA :: 54.692 CB :: 29.813 CG :: 34.526 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 :: 8.842 HA :: 5.110 HB2 :: 2.061 HB3 :: 2.028 HG2 :: 2.210 HG3 :: 2.107 HE21 :: 7.593 HE22 :: 6.776 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 :: 123.651 NE2 :: 111.684 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 172.983 CA :: 60.606 CB :: 32.987 CG1 :: 23.377 CG2 :: 20.973 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 :: 9.548 HA :: 4.165 HB :: 1.886 HG11 :: 0.453 HG12 :: 0.453 HG13 :: 0.453 HG21 :: 0.519 HG22 :: 0.519 HG23 :: 0.519 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 :: 129.823 Ave N Shift Values>> N :: 121.02(4.96) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 176.527 CA :: 62.331 CB :: 32.683 CG :: 26.831 CD :: 51.676 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 :: 4.669 HB2 :: 2.425 HB3 :: 2.381 HG2 :: 2.119 HG3 :: 1.831 HD2 :: 4.197 HD3 :: 3.644 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.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 C 0.03 I 0.02 C Shift Assignments>> C :: 178.712 CA :: 54.712 CB :: 18.470 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.735 HA :: 4.028 HB1 :: 1.215 HB2 :: 1.215 HB3 :: 1.215 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.556 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>> C 0.39 E 0.37 I 0.14 K 0.04 M 0.02 C Shift Assignments>> C :: 177.292 CA :: 57.402 CB :: 29.549 CG :: 37.272 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 :: 8.241 HA :: 4.203 HB2 :: 2.229 HB3 :: 1.834 HG2 :: 2.452 HG3 :: 2.228 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 :: 111.304 Ave N Shift Values>> N :: 120.68(3.68) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 174.683 CA :: 57.629 CB :: 41.347 CD1 :: 132.698 CD2 :: 133.172 CE1 :: 118.391 CE2 :: 119.507 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.052 HA :: 4.735 HB2 :: 3.188 HB3 :: 3.115 HD1 :: 7.260 HD2 :: 6.531 HE1 :: 6.825 HE2 :: 6.787 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 :: 122.928 Ave N Shift Values>> N :: 120.79(4.69) 1.P72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.72 P 0.22 A 0.02 G 0.01 C Shift Assignments>> C :: 174.246 CA :: 63.786 CB :: 32.015 CG :: 23.678 CD :: 49.429 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 :: 3.770 HB2 :: 1.694 HB3 :: 0.474(S) HG2 :: 1.328 HG3 :: 0.453(S) HD2 :: 3.259 HD3 :: 3.219 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.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.34 C 0.29 C Shift Assignments>> C :: 173.712 CA :: 57.265 CB :: 29.790 CD2 :: 119.498 CE1 :: 138.779 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.799 HA :: 4.458 HB2 :: 3.340 HB3 :: 3.100 HD2 :: 7.081 HE1 :: 7.841 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.313 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.23 E 0.1 C Shift Assignments>> C :: 174.585 CA :: 54.438 CB :: 33.767 CG :: 36.192 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 :: 7.075 HA :: 4.469 HB2 :: 1.785 HB3 :: 1.662 HG2 :: 2.406 HG3 :: 2.326 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 :: 118.696 Ave N Shift Values>> N :: 120.68(3.68) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.25 C Shift Assignments>> C :: 173.614 CA :: 60.133 CB :: 31.017 CG1 :: 22.671 CG2 :: 17.961 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 :: 8.246 HA :: 4.351 HB :: 2.226 HG11 :: 0.995 HG12 :: 0.995 HG13 :: 0.995 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.666 Ave N Shift Values>> N :: 121.02(4.96) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 175.484 CA :: 62.069 CB :: 32.006 CG :: 27.814 CD :: 51.153 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 :: 4.858 HB2 :: 1.891 HB3 :: 1.548 HG2 :: 1.851 HG3 :: 1.790 HD2 :: 4.148 HD3 :: 3.646 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.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.24 C 0.24 E 0.1 M 0.07 R 0.05 C Shift Assignments>> C :: 176.248 CA :: 55.662 CB :: 29.328 CG :: 33.767 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 :: 8.781 HA :: 4.426 HB2 :: 2.156 HB3 :: 2.059 HG2 :: 2.430 HG3 :: 2.430 HE21 :: 7.630 HE22 :: 6.791 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 :: 120.269 NE2 :: 112.829 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> C :: 174.828 CA :: 61.233 CB :: 39.881 CG1 :: 27.314 CG2 :: 18.224 CD1 :: 14.547 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 :: 8.567 HA :: 4.732 HB :: 1.590 HG12 :: 1.602 HG13 :: 0.667 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 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 :: 128.135 Ave N Shift Values>> N :: 121.6(4.72) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.199 CA :: 57.398 CB :: 65.552 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.219 HA :: 4.655 HB2 :: 3.816 HB3 :: 3.746 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 :: 121.566 Ave N Shift Values>> N :: 116.3(3.95) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.314 CA :: 59.625 CB :: 40.608 CG1 :: 28.094 CG2 :: 17.721 CD1 :: 13.425 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 :: 8.497 HA :: 4.971 HB :: 1.524 HG12 :: 1.328 HG13 :: 0.945 HG21 :: 0.619 HG22 :: 0.619 HG23 :: 0.619 HD11 :: 0.269 HD12 :: 0.269 HD13 :: 0.269 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 :: 119.200 Ave N Shift Values>> N :: 121.6(4.72) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.25 R 0.13 K 0.08 C Shift Assignments>> C :: 174.027 CA :: 53.652 CB :: 34.523 CG :: 27.220 CD :: 43.755 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 :: 9.376 HA :: 4.788 HB2 :: 1.693 HB3 :: 1.531 HG2 :: 1.517 HG3 :: 1.517 HD2 :: 3.137 HD3 :: 2.888 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 :: 125.860 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.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.18 D 0.15 Y 0.11 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 171.697 CA :: 53.902 CB :: 38.456 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.359 HA :: 4.498 HB2 :: 2.908 HB3 :: 2.692 HD21 :: 7.697 HD22 :: 6.909 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.657 ND2 :: 113.210 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.503 CA :: 63.533 CB :: 32.515 CG :: 27.451 CD :: 51.000 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 :: 4.984 HB2 :: 2.233 HB3 :: 1.733 HG2 :: 2.243 HG3 :: 2.015 HD2 :: 3.802 HD3 :: 3.245 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.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.29 G 0.14 K 0.09 C Shift Assignments>> C :: 175.678 CA :: 55.917 CB :: 33.317 CG :: 26.891 CD :: 43.780 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 :: 9.086 HA :: 4.612 HB2 :: 1.924 HB3 :: 1.827 HG2 :: 1.616 HG3 :: 1.482 HD2 :: 3.141 HD3 :: 3.141 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.482 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.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 173.238 CA :: 46.158 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.660 HA2 :: 4.279 HA3 :: 3.751 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.806 Ave N Shift Values>> N :: 109.91(4.29) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.19 L 0.18 A 0.01 C Shift Assignments>> C :: 176.746 CA :: 52.686 CB :: 45.905 CG :: 26.355 CD1 :: 26.932 CD2 :: 24.145 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 :: 7.514 HA :: 5.037 HB2 :: 1.453 HB3 :: 1.307 HG :: 1.686 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 HD21 :: 0.706 HD22 :: 0.706 HD23 :: 0.706 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 :: 117.829 Ave N Shift Values>> N :: 121.98(4.07) 1.S87 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 :: 174.707 CA :: 56.549 CB :: 65.773 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.525 HA :: 4.561 HB2 :: 4.435 HB3 :: 3.986 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 :: 120.807 Ave N Shift Values>> N :: 116.3(3.95) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 C 0.18 I 0.09 L 0.06 D 0.06 K 0.03 N 0.01 C Shift Assignments>> C :: 178.906 CA :: 57.903 CB :: 39.882 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.037 HA :: 4.298 HB2 :: 2.605 HB3 :: 2.605 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 :: 121.404 Ave N Shift Values>> N :: 120.73(4.2) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.27 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.343 CA :: 59.878 CB :: 29.239 CG :: 36.466 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 :: 8.650 HA :: 4.088 HB2 :: 2.048 HB3 :: 1.937 HG2 :: 2.318 HG3 :: 2.318 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 :: 120.128 Ave N Shift Values>> N :: 120.68(3.68) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.3 K 0.11 I 0.1 Q 0.1 M 0.05 HN Overlap>> 1.A109 1.A109 C Shift Assignments>> C :: 178.651 CA :: 59.366 CB :: 29.813 CG :: 35.377 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.904 HA :: 4.014 HB2 :: 2.440 HB3 :: 1.764 HG2 :: 2.440 HG3 :: 2.362 HE21 :: 7.621 HE22 :: 7.150 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 :: 120.656 NE2 :: 112.688 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 176.782 CA :: 65.745 CB :: 37.826 CG1 :: 30.302 CG2 :: 17.025 CD1 :: 13.428 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 :: 8.157 HA :: 3.260 HB :: 1.885 HG12 :: 1.645 HG13 :: 0.681 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 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 :: 120.020 Ave N Shift Values>> N :: 121.6(4.72) 1.H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.31 H 0.25 HN Overlap>> 1.N125 1.N125 C Shift Assignments>> C :: 178.166 CA :: 60.122 CB :: 29.805 CD2 :: 120.126 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.049 HA :: 4.181 HB2 :: 3.252 HB3 :: 3.179 HD2 :: 7.014 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.754 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.593 CA :: 67.242 CB :: 68.719 CG2 :: 21.691 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.191 HA :: 3.842 HB :: 4.315 HG21 :: 1.195 HG22 :: 1.195 HG23 :: 1.195 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 :: 117.024 Ave N Shift Values>> N :: 115.7(5.05) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 HN Overlap>> 1.Y58 1.Y58 C Shift Assignments>> C :: 177.389 CA :: 66.484 CB :: 37.919 CG1 :: 29.680 CG2 :: 17.729 CD1 :: 14.017 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 :: 8.189 HA :: 3.397 HB :: 1.659 HG12 :: 1.834 HG13 :: 0.762 HG21 :: 0.544 HG22 :: 0.544 HG23 :: 0.544 HD11 :: 0.411 HD12 :: 0.411 HD13 :: 0.411 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 :: 121.904 Ave N Shift Values>> N :: 121.6(4.72) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.38 R 0.04 C Shift Assignments>> C :: 180.548 CA :: 58.397 CB :: 41.395 CG :: 26.825 CD1 :: 25.483 CD2 :: 23.072 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 :: 7.999 HA :: 3.752 HB2 :: 1.862 HB3 :: 1.333 HG :: 1.660 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 HD21 :: 0.664 HD22 :: 0.664 HD23 :: 0.664 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 :: 117.320 Ave N Shift Values>> N :: 121.98(4.07) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.23 E 0.12 R 0.05 M 0.03 I 0.02 C Shift Assignments>> C :: 179.003 CA :: 58.774 CB :: 28.819 CG :: 33.880 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 :: 8.158 HA :: 3.927 HB2 :: 2.122 HB3 :: 2.122 HG2 :: 2.259 HG3 :: 2.128 HE21 :: 7.202 HE22 :: 6.878 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 :: 120.676 NE2 :: 112.423 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.W40 1.W40 C Shift Assignments>> C :: 179.173 CA :: 66.713 CB :: 31.779 CG1 :: 21.430 CG2 :: 22.634 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 :: 8.510 HA :: 3.693 HB :: 2.073 HG11 :: 0.917 HG12 :: 0.917 HG13 :: 0.917 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 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 :: 121.448 Ave N Shift Values>> N :: 121.02(4.96) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.44 R 0.07 K 0.01 HN Overlap>> 1.I44 1.I44 C Shift Assignments>> C :: 178.809 CA :: 58.412 CB :: 40.978 CG :: 27.382 CD1 :: 26.571 CD2 :: 23.152 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 :: 8.550 HA :: 3.939 HB2 :: 1.817 HB3 :: 1.333 HG :: 1.970 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 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 :: 118.228 Ave N Shift Values>> N :: 121.98(4.07) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.22 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.891 CA :: 47.324 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.127 HA2 :: 3.897 HA3 :: 3.757 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.545 Ave N Shift Values>> N :: 109.91(4.29) 1.H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 C 0.32 H 0.27 C Shift Assignments>> C :: 178.421 CA :: 59.657 CB :: 30.291 CD2 :: 119.721 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.877 HA :: 4.443 HB2 :: 3.322 HB3 :: 3.322 HD2 :: 6.974 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.397 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.566 CA :: 66.288 CB :: 31.505 CG1 :: 21.674 CG2 :: 23.050 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 :: 8.130 HA :: 3.599 HB :: 2.239 HG11 :: 0.836 HG12 :: 0.836 HG13 :: 0.836 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.142 Ave N Shift Values>> N :: 121.02(4.96) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 178.421 CA :: 54.607 CB :: 18.213 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.297 HA :: 4.404 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.839 Ave N Shift Values>> N :: 123.23(3.7) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.01 C Shift Assignments>> C :: 179.841 CA :: 59.356 CB :: 32.305 CG :: 25.325 CD :: 29.297 CE :: 42.076 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.678 HA :: 3.812 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 1.565 HG3 :: 1.464 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 2.987 HE3 :: 2.987 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 :: 115.541 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 178.846 CA :: 54.033 CB :: 17.870 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.015 HA :: 4.129 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.734 Ave N Shift Values>> N :: 123.23(3.7) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.590 CA :: 44.514 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.739 HA2 :: 4.235 HA3 :: 3.613 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.708 Ave N Shift Values>> N :: 109.91(4.29) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.31 R 0.1 G 0.04 C Shift Assignments>> C :: 177.753 CA :: 57.630 CB :: 42.858 CG :: 26.959 CD1 :: 25.259 CD2 :: 24.444 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 :: 6.985 HA :: 3.855 HB2 :: 1.753 HB3 :: 1.538 HG :: 1.830 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 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 :: 121.231 Ave N Shift Values>> N :: 121.98(4.07) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.396 CA :: 44.577 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.417 HA2 :: 4.337 HA3 :: 2.947 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.654 Ave N Shift Values>> N :: 109.91(4.29) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.27 C Shift Assignments>> C :: 170.726 CA :: 59.700 CB :: 72.279 CG2 :: 21.423 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.043 HA :: 4.481 HB :: 4.102 HG21 :: 1.080 HG22 :: 1.080 HG23 :: 1.080 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 :: 113.602 Ave N Shift Values>> N :: 115.7(5.05) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 C 0.01 HN Overlap>> 1.Q90 1.Q90 C Shift Assignments>> C :: 178.263 CA :: 52.693 CB :: 17.233 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.838 HA :: 4.304 HB1 :: 1.276 HB2 :: 1.276 HB3 :: 1.276 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.584 Ave N Shift Values>> N :: 123.23(3.7) 1.M110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.3 A 0.13 I 0.07 C Shift Assignments>> C :: 176.430 CA :: 55.929 CB :: 36.447 CG :: 30.928 CE :: 16.993 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.244 HA :: 4.976 HB2 :: 2.131 HB3 :: 2.131 HG2 :: 2.930 HG3 :: 2.301 HE1 :: 2.135 HE2 :: 2.135 HE3 :: 2.135 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 :: 123.410 Ave N Shift Values>> N :: 120.1(3.88) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.42 R 0.02 C Shift Assignments>> C :: 178.566 CA :: 59.858 CB :: 41.350 CG :: 26.082 CD1 :: 26.067 CD2 :: 22.601 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.481 HA :: 3.841 HB2 :: 1.956 HB3 :: 1.004 HG :: 2.280 HD11 :: 0.407 HD12 :: 0.407 HD13 :: 0.407 HD21 :: 0.561 HD22 :: 0.561 HD23 :: 0.561 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 :: 123.294 Ave N Shift Values>> N :: 121.98(4.07) 1.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 176.333 CA :: 61.336 CB :: 38.192 CD1 :: 133.313 CD2 :: 133.313 CE1 :: 118.222 CE2 :: 118.222 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 :: 9.149 HA :: 4.174 HB2 :: 3.120 HB3 :: 2.914 HD1 :: 7.087 HD2 :: 7.087 HE1 :: 6.698 HE2 :: 6.698 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 :: 118.474 Ave N Shift Values>> N :: 120.79(4.69) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.32 E 0.27 K 0.04 C Shift Assignments>> C :: 179.837 CA :: 59.711 CB :: 28.827 CG :: 36.860 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 :: 8.026 HA :: 3.715 HB2 :: 2.102 HB3 :: 1.874 HG2 :: 2.324 HG3 :: 2.288 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 :: 117.114 Ave N Shift Values>> N :: 120.68(3.68) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.34 R 0.16 G 0.04 C Shift Assignments>> C :: 177.693 CA :: 58.568 CB :: 42.774 CG :: 26.877 CD1 :: 26.567 CD2 :: 25.161 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 :: 7.939 HA :: 3.879 HB2 :: 2.084 HB3 :: 1.205 HG :: 1.865 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.087 Ave N Shift Values>> N :: 121.98(4.07) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.312 CA :: 66.139 CB :: 38.260 CG1 :: 30.041 CG2 :: 18.354 CD1 :: 14.217 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 :: 8.009 HA :: 3.212 HB :: 1.820 HG12 :: 1.748 HG13 :: 0.531 HG21 :: 0.507 HG22 :: 0.507 HG23 :: 0.507 HD11 :: 0.534 HD12 :: 0.534 HD13 :: 0.534 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 :: 119.429 Ave N Shift Values>> N :: 121.6(4.72) 1.E116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.19 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.314 CA :: 58.912 CB :: 29.068 CG :: 36.430 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.429 HA :: 3.723 HB2 :: 1.916 HB3 :: 1.622 HG2 :: 1.818 HG3 :: 1.548(S) 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 :: 116.190 Ave N Shift Values>> N :: 120.68(3.68) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.34 K 0.24 L 0.04 C Shift Assignments>> C :: 178.579 CA :: 57.165 CB :: 29.794 CG :: 24.621 CD :: 27.331 CE :: 41.852 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 :: 8.282 HA :: 4.219 HB2 :: 2.008 HB3 :: 1.946 HG2 :: 1.392 HG3 :: 1.392 HD2 :: 1.739 HD3 :: 1.739 HE2 :: 2.847 HE3 :: 2.709 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 :: 121.368 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.25 P 0.04 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.015 CA :: 47.574 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.224 HA2 :: 3.688 HA3 :: 3.503 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.284 Ave N Shift Values>> N :: 109.91(4.29) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.33 R 0.23 C Shift Assignments>> C :: 178.943 CA :: 60.074 CB :: 32.665 CG :: 26.346 CD :: 29.774 CE :: 41.638 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.724 HA :: 3.757 HB2 :: 1.963 HB3 :: 1.852 HG2 :: 1.655 HG3 :: 1.448 HD2 :: 1.765 HD3 :: 1.765 HE2 :: 2.986 HE3 :: 2.923 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.977 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.13 M 0.06 K 0.05 Q 0.03 C Shift Assignments>> C :: 178.744 CA :: 59.370 CB :: 30.415 CG :: 36.105 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 :: 8.155 HA :: 4.032 HB2 :: 2.288 HB3 :: 2.193 HG2 :: 2.401 HG3 :: 2.136 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 :: 122.303 Ave N Shift Values>> N :: 120.68(3.68) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.226 CA :: 63.910 CB :: 38.265 CG1 :: 28.539 CG2 :: 18.183 CD1 :: 14.788 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 :: 8.283 HA :: 3.976 HB :: 1.915 HG12 :: 1.756 HG13 :: 1.267 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 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 :: 118.377 Ave N Shift Values>> N :: 121.6(4.72) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 R 0.06 G 0.01 C Shift Assignments>> C :: 178.214 CA :: 57.129 CB :: 42.109 CG :: 26.401 CD1 :: 23.925 CD2 :: 25.462 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 :: 7.715 HA :: 4.077 HB2 :: 1.815 HB3 :: 1.519 HG :: 1.698 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.644 HD22 :: 0.644 HD23 :: 0.644 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.546 Ave N Shift Values>> N :: 121.98(4.07) 1.T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.520 CA :: 65.534 CB :: 69.320 CG2 :: 21.949 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.005 HA :: 4.013 HB :: 4.428 HG21 :: 1.320 HG22 :: 1.320 HG23 :: 1.320 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 :: 114.656 Ave N Shift Values>> N :: 115.7(5.05) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.17 K 0.14 F 0.13 C 0.12 Y 0.11 N 0.05 R 0.02 I 0.01 HN Overlap>> 1.Y58 1.Y58 C Shift Assignments>> C :: 176.637 CA :: 55.718 CB :: 40.916 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 :: 8.192 HA :: 4.533 HB2 :: 2.728 HB3 :: 2.728 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 :: 122.037 Ave N Shift Values>> N :: 120.73(4.2) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.22 C 0.15 Y 0.1 F 0.08 L 0.05 E 0.01 HN Overlap>> 1.H92 1.H92 C Shift Assignments>> C :: 174.549 CA :: 53.810 CB :: 39.167 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.991 HA :: 4.675 HB2 :: 2.902 HB3 :: 2.683 HD21 :: 7.600 HD22 :: 7.045 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.717 ND2 :: 112.683 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.2 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 174.428 CA :: 53.407 CB :: 38.949 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 :: 8.093 HA :: 4.774 HB2 :: 2.929 HB3 :: 2.707 HD21 :: 7.804 HD22 :: 6.974 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.666 ND2 :: 112.982 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 A 0.01 C Shift Assignments>> C :: 174.270 CA :: 58.735 CB :: 38.871 CG1 :: 26.995 CG2 :: 17.241 CD1 :: 13.033 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 :: 7.877 HA :: 4.426 HB :: 1.842 HG12 :: 1.488 HG13 :: 1.120 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 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 :: 122.217 Ave N Shift Values>> N :: 121.6(4.72) 1.P128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.086 CB :: 31.963 CG :: 27.342 CD :: 50.969 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 :: 4.279 HB2 :: 2.153 HB3 :: 1.794 HG2 :: 1.961 HG3 :: 1.898 HD2 :: 3.784 HD3 :: 3.591 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.H129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.29 C Shift Assignments>> C :: 176.018 CA :: 56.246 CB :: 30.516 CD2 :: 120.275 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.359 HA :: 4.587 HB2 :: 3.128 HB3 :: 3.128 HD2 :: 7.119 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.784 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.149 CA :: 45.328 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.409 HA2 :: 3.925 HA3 :: 3.925 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.254 Ave N Shift Values>> N :: 109.91(4.29) 1.Q131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 M 0.11 E 0.11 R 0.03 C Shift Assignments>> C :: 176.081 CA :: 55.688 CB :: 29.733 CG :: 33.754 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 :: 8.364 HA :: 4.401 HB2 :: 2.137 HB3 :: 1.981 HG2 :: 2.332 HG3 :: 2.332 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 :: 120.013 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.524 CA :: 58.366 CB :: 63.924 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.436 HA :: 4.478 HB2 :: 3.911 HB3 :: 3.868 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 :: 117.198 Ave N Shift Values>> N :: 116.3(3.95) 1.G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.794 CA :: 44.551 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.263 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.703 Ave N Shift Values>> N :: 109.91(4.29) 1.P134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 131 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 0 C Shift Results: #Consistent: 567 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 897 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 129 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L13 H = 5.455(S), Expected = 8.22, Std = 0.6500, ChiSquare = 2.1013e-05 1.L13 HB2 = 0.097(S), Expected = 1.63, Std = 0.3400, ChiSquare = 6.5188e-06 1.L13 HB3 = -0.585(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.1492e-09 1.L13 HG = 0.125(S), Expected = 1.54, Std = 0.3300, ChiSquare = 1.8039e-05 1.L13 HD21 = -0.540(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.4362e-06 1.L13 HD22 = -0.540(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.4362e-06 1.L13 HD23 = -0.540(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.4362e-06 1.P14 HD3 = 2.241(S), Expected = 3.63, Std = 0.4000, ChiSquare = 5.1564e-04 1.K32 HB3 = 0.642(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.2037e-05 1.K32 HG3 = -0.036(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.2454e-06 1.G33 H = 5.195(S), Expected = 8.34, Std = 0.7400, ChiSquare = 2.1377e-05 1.P72 HB3 = 0.474(S), Expected = 2.05, Std = 0.3900, ChiSquare = 5.3218e-05 1.P72 HG3 = 0.453(S), Expected = 1.92, Std = 0.3700, ChiSquare = 7.3438e-05 1.E116 HG3 = 1.548(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.8499e-04