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.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 C 0.33 Q 0.15 E 0.11 K 0.02 C Shift Assignments>> C :: 176.179 CA :: 55.469 CB :: 34.159 CG :: 32.244 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 :: 8.791 HA :: 4.421 HB2 :: 1.951 HB3 :: 1.832 HG2 :: 2.418 HG3 :: 2.340 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 :: 123.173 Ave N Shift Values>> N :: 120.1(3.88) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.746 CA :: 61.455 CB :: 70.075 CG2 :: 21.828 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 :: 4.266 HB :: 4.235 HG21 :: 1.122 HG22 :: 1.122 HG23 :: 1.122 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 :: 114.625 Ave N Shift Values>> N :: 115.7(5.05) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.779 CB :: 62.174 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.821 HA :: 4.508 HB2 :: 3.852 HB3 :: 3.852 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 :: 118.158 Ave N Shift Values>> N :: 116.3(3.95) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 178.918 CA :: 64.808 CB :: 31.526 CG :: 27.695 CD :: 50.441 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 :: 4.265 HB2 :: 2.155 HB3 :: 1.654 HG2 :: 1.875 HG3 :: 1.845 HD2 :: 3.697 HD3 :: 3.697 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.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.24 E 0.09 R 0.08 M 0.03 I 0.01 C Shift Assignments>> C :: 178.418 CA :: 58.103 CB :: 28.413 CG :: 33.680 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 :: 7.687 HA :: 4.030 HB2 :: 1.972 HB3 :: 1.972 HG2 :: 2.279 HG3 :: 2.279 HE21 :: 7.561 HE22 :: 6.870 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.063 NE2 :: 113.721 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.38 R 0.06 C Shift Assignments>> C :: 177.909 CA :: 57.864 CB :: 41.343 CG :: 26.737 CD1 :: 26.258 CD2 :: 23.145 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 :: 8.316 HA :: 4.053 HB2 :: 1.792 HB3 :: 1.490 HG :: 1.442 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 123.533 Ave N Shift Values>> N :: 121.98(4.07) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.2 I 0.15 K 0.14 Q 0.11 R 0.01 M 0.01 P 0.01 C Shift Assignments>> C :: 177.587 CA :: 60.498 CB :: 28.892 CG :: 34.878 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 :: 8.492 HA :: 3.525 HB2 :: 1.987 HB3 :: 1.987 HG2 :: 2.079 HG3 :: 2.079 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 :: 118.753 Ave N Shift Values>> N :: 120.68(3.68) 1.W10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 W 0.15 C 0.14 E 0.1 K 0.09 Q 0.07 R 0.07 H 0.07 V 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 178.732 CA :: 60.019 CB :: 28.892 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 :: 7.916 HA :: 4.205 HB2 :: 3.246 HB3 :: 3.188 HD1 :: 7.049 HE1 :: 9.856 HE3 :: 7.397 HZ2 :: 6.985 HZ3 :: 6.907 HH2 :: 7.234 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 :: 118.920 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T11 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 :: 176.043 CA :: 66.963 CB :: 68.639 CG2 :: 21.469 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 :: 8.399 HA :: 3.447 HB :: 4.150 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 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 :: 118.372 Ave N Shift Values>> N :: 115.7(5.05) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 R 0.07 G 0.02 C Shift Assignments>> C :: 177.748 CA :: 57.864 CB :: 42.540 CG :: 26.737 CD1 :: 25.061 CD2 :: 25.061 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 :: 8.465 HA :: 3.730 HB2 :: 1.559 HB3 :: 1.377 HG :: 1.465 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 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 :: 120.608 Ave N Shift Values>> N :: 121.98(4.07) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.16 Q 0.15 R 0.14 P 0.09 I 0.03 E 0.03 HN Overlap>> 1.L60 1.L60 C Shift Assignments>> C :: 177.002 CA :: 60.019 CB :: 27.216 CG :: 33.202 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 :: 8.575 HA :: 3.354 HB2 :: 1.947 HB3 :: 1.785 HG2 :: 1.951 HG3 :: 1.951 HE21 :: 7.569 HE22 :: 6.674 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 :: 119.325 NE2 :: 111.279 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T14 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 :: 177.010 CA :: 65.526 CB :: 68.639 CG2 :: 20.990 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 :: 7.691 HA :: 3.528 HB :: 3.748 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.120 Ave N Shift Values>> N :: 115.7(5.05) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.33 R 0.08 G 0.03 C Shift Assignments>> C :: 178.028 CA :: 58.103 CB :: 42.540 CG :: 26.258 CD1 :: 26.258 CD2 :: 23.624 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 :: 7.414 HA :: 3.816 HB2 :: 1.665 HB3 :: 1.030 HG :: 1.623 HD11 :: 0.560 HD12 :: 0.560 HD13 :: 0.560 HD21 :: 0.544 HD22 :: 0.544 HD23 :: 0.544 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 :: 121.418 Ave N Shift Values>> N :: 121.98(4.07) 1.L16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 L 0.38 A 0.07 R 0.04 C Shift Assignments>> C :: 180.665 CA :: 57.146 CB :: 41.223 CG :: 26.497 CD1 :: 25.540 CD2 :: 20.751 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 :: 8.301 HA :: 3.537 HB2 :: 1.527 HB3 :: 0.810 HG :: 1.496 HD11 :: 0.447 HD12 :: 0.447 HD13 :: 0.447 HD21 :: -0.266(S) HD22 :: -0.266(S) HD23 :: -0.266(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 :: 115.640 Ave N Shift Values>> N :: 121.98(4.07) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.21 K 0.04 M 0.01 C Shift Assignments>> C :: 176.764 CA :: 58.103 CB :: 29.131 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 :: 8.117 HA :: 3.984 HB2 :: 1.895 HB3 :: 1.895 HG2 :: 2.294 HG3 :: 2.096 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 :: 116.538 Ave N Shift Values>> N :: 120.68(3.68) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.22 E 0.17 M 0.05 R 0.03 I 0.01 C Shift Assignments>> C :: 176.255 CA :: 56.188 CB :: 29.131 CG :: 34.399 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 :: 7.260 HA :: 4.055 HB2 :: 2.149 HB3 :: 2.011 HG2 :: 2.317 HG3 :: 2.248 HE21 :: 7.260 HE22 :: 6.506 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.445 NE2 :: 112.403 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 A 0.04 R 0.01 C Shift Assignments>> C :: 177.358 CA :: 54.272 CB :: 40.864 CG :: 26.258 CD1 :: 26.258 CD2 :: 23.145 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 :: 6.934 HA :: 4.334 HB2 :: 1.714 HB3 :: 1.293 HG :: 1.575 HD11 :: 0.424 HD12 :: 0.424 HD13 :: 0.424 HD21 :: 0.420 HD22 :: 0.420 HD23 :: 0.420 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 :: 119.559 Ave N Shift Values>> N :: 121.98(4.07) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.26 D 0.05 M 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 174.780 CA :: 51.399 CB :: 37.272 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 :: 9.164 HA :: 4.546 HB2 :: 3.233 HB3 :: 2.799 HD21 :: 7.311 HD22 :: 6.876 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.595 ND2 :: 111.113 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 I 0.3 E 0.27 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.300 CA :: 60.498 CB :: 29.371 CG :: 36.314 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 :: 8.442 HA :: 3.845 HB2 :: 1.920 HB3 :: 1.920 HG2 :: 2.235 HG3 :: 2.171 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 :: 116.544 Ave N Shift Values>> N :: 120.68(3.68) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 C 0.19 K 0.14 L 0.14 D 0.12 I 0.06 R 0.02 N 0.02 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 179.147 CA :: 57.385 CB :: 40.624 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 :: 7.951 HA :: 4.333 HB2 :: 2.577 HB3 :: 2.577 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 :: 119.884 Ave N Shift Values>> N :: 120.73(4.2) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.09 K 0.07 I 0.07 Q 0.06 C Shift Assignments>> C :: 178.757 CA :: 58.343 CB :: 30.448 CG :: 35.835 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 :: 8.624 HA :: 3.917 HB2 :: 2.157 HB3 :: 1.642 HG2 :: 2.447 HG3 :: 2.447 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 :: 122.097 Ave N Shift Values>> N :: 120.68(3.68) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 C Shift Assignments>> C :: 178.503 CA :: 58.103 CB :: 40.385 CG :: 26.976 CD1 :: 24.821 CD2 :: 23.145 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 :: 8.980 HA :: 3.960 HB2 :: 1.808 HB3 :: 1.327 HG :: 1.388 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.668 HD22 :: 0.668 HD23 :: 0.668 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 :: 121.454 Ave N Shift Values>> N :: 121.98(4.07) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.2 G 0.01 M 0.01 C Shift Assignments>> C :: 180.029 CA :: 60.498 CB :: 32.483 CG :: 25.540 CD :: 29.610 CE :: 42.061 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 :: 7.381 HA :: 3.911 HB2 :: 1.931 HB3 :: 1.931 HG2 :: 1.641 HG3 :: 1.397 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.886 HE3 :: 2.886 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 :: 118.455 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.441 CA :: 62.174 CB :: 62.413 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.031 HA :: 4.149 HB2 :: 4.009 HB3 :: 3.857 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 :: 116.910 Ave N Shift Values>> N :: 116.3(3.95) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 F 0.28 C 0.2 C Shift Assignments>> C :: 177.324 CA :: 61.455 CB :: 39.666 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 :: 8.978 HA :: 3.868 HB2 :: 3.268 HB3 :: 2.821 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 :: 123.252 Ave N Shift Values>> N :: 120.69(4.18) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.39 K 0.05 G 0.01 M 0.01 HN Overlap>> 1.N62 1.N62 C Shift Assignments>> C :: 177.943 CA :: 60.498 CB :: 33.920 CG :: 27.216 CD :: 31.526 CE :: 42.061 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 :: 8.131 HA :: 3.820 HB2 :: 2.030 HB3 :: 1.852 HG2 :: 1.753 HG3 :: 0.962 HD2 :: 1.629 HD3 :: 1.219 HE2 :: 2.794 HE3 :: 2.358 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.257 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.570 CA :: 61.934 CB :: 62.653 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.927 HA :: 4.127 HB2 :: 3.900 HB3 :: 3.900 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 :: 113.769 Ave N Shift Values>> N :: 116.3(3.95) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.36 R 0.14 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> C :: 179.961 CA :: 57.624 CB :: 41.821 CG :: 27.455 CD1 :: 25.779 CD2 :: 22.427 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 :: 8.187 HA :: 3.984 HB2 :: 1.671 HB3 :: 1.118 HG :: 1.642 HD11 :: 0.693 HD12 :: 0.693 HD13 :: 0.693 HD21 :: 0.674 HD22 :: 0.674 HD23 :: 0.674 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 :: 123.154 Ave N Shift Values>> N :: 121.98(4.07) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.33 R 0.09 G 0.02 C Shift Assignments>> C :: 177.773 CA :: 58.103 CB :: 42.300 CG :: 26.497 CD1 :: 26.258 CD2 :: 24.342 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 :: 8.455 HA :: 3.739 HB2 :: 2.165 HB3 :: 1.394 HG :: 1.787 HD11 :: 1.022 HD12 :: 1.022 HD13 :: 1.022 HD21 :: 0.781 HD22 :: 0.781 HD23 :: 0.781 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 :: 122.270 Ave N Shift Values>> N :: 121.98(4.07) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 R 0.12 H 0.1 Q 0.09 K 0.07 I 0.06 M 0.04 V 0.03 C Shift Assignments>> C :: 176.357 CA :: 58.822 CB :: 30.089 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 :: 7.928 HA :: 4.277 HB2 :: 3.256 HB3 :: 3.068 HD1 :: 6.648 HE1 :: 9.786 HE3 :: 7.186 HZ2 :: 7.452 HZ3 :: 6.788 HH2 :: 7.120 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.231 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 C Shift Assignments>> C :: 177.502 CA :: 51.399 CB :: 19.314 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.156 HA :: 4.205 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.432 Ave N Shift Values>> N :: 123.23(3.7) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 C 0.25 D 0.13 L 0.09 I 0.08 N 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 173.813 CA :: 57.146 CB :: 39.666 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 :: 7.745 HA :: 4.382 HB2 :: 3.372 HB3 :: 2.964 HD1 :: 7.316 HD2 :: 7.316 HE1 :: 6.000 HE2 :: 6.000 HZ :: 6.750 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 :: 124.502 Ave N Shift Values>> N :: 120.69(4.18) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.357 CA :: 63.131 CB :: 30.089 CG :: 27.695 CD :: 49.962 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 :: 4.275 HB2 :: 1.993 HB3 :: 1.872 HG2 :: 1.859 HG3 :: 1.713 HD2 :: 3.380 HD3 :: 2.760 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.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.2 G 0.1 A 0.07 R 0.01 C Shift Assignments>> C :: 178.189 CA :: 54.272 CB :: 43.258 CG :: 25.779 CD1 :: 24.821 CD2 :: 22.666 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 :: 8.032 HA :: 4.054 HB2 :: 1.330 HB3 :: 0.971 HG :: 1.646 HD11 :: 0.047 HD12 :: 0.047 HD13 :: 0.047 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 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 :: 126.564 Ave N Shift Values>> N :: 121.98(4.07) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 K 0.11 I 0.06 Q 0.05 M 0.04 C Shift Assignments>> C :: 177.086 CA :: 56.427 CB :: 29.371 CG :: 36.314 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 :: 7.983 HA :: 3.992 HB2 :: 1.845 HB3 :: 1.618 HG2 :: 1.885 HG3 :: 1.682 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 :: 120.786 Ave N Shift Values>> N :: 120.68(3.68) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.25 F 0.18 L 0.17 C 0.14 R 0.1 D 0.09 I 0.03 C Shift Assignments>> C :: 177.205 CA :: 57.385 CB :: 41.582 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>> HA :: 4.012 HB2 :: 2.400 HB3 :: 2.400 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.V39 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>> CA :: 66.005 CB :: 31.047 CG1 :: 22.187 CG2 :: 21.709 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 :: 8.014 HA :: 3.468 HB :: 2.040 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.757 HG22 :: 0.757 HG23 :: 0.757 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.649 Ave N Shift Values>> N :: 121.02(4.96) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 L 0.45 A 0.01 C Shift Assignments>> C :: 178.053 CA :: 56.906 CB :: 39.906 CG :: 26.258 CD1 :: 26.258 CD2 :: 22.666 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>> HA :: 4.091 HB2 :: 1.376 HB3 :: 1.110 HG :: 1.508 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.24 E 0.11 R 0.07 M 0.02 I 0.02 C Shift Assignments>> C :: 176.917 CA :: 57.864 CB :: 28.413 CG :: 33.920 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 :: 7.819 HA :: 3.669 HB2 :: 1.949 HB3 :: 1.774 HG2 :: 2.119 HG3 :: 2.119 HE21 :: 7.163 HE22 :: 6.512 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.072 NE2 :: 111.569 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.4 C 0.36 R 0.18 M 0.03 C Shift Assignments>> C :: 177.053 CA :: 56.188 CB :: 32.723 CG :: 25.061 CD :: 29.131 CE :: 42.061 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>> HA :: 4.124 HB2 :: 1.880 HB3 :: 1.621 HG2 :: 1.379 HG3 :: 1.261 HD2 :: 1.461 HD3 :: 1.461 HE2 :: 2.789 HE3 :: 2.789 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) 1.T43 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 :: 179.902 CA :: 61.695 CB :: 70.554 CG2 :: 19.554 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 :: 7.952 HA :: 4.266 HB :: 4.396 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 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 :: 122.395 Ave N Shift Values>> N :: 115.7(5.05) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.773 CA :: 62.892 CB :: 32.004 CG :: 27.695 CD :: 50.920 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 :: 4.382 HB2 :: 2.278 HB3 :: 1.847 HG2 :: 2.001 HG3 :: 1.898 HD2 :: 3.910 HD3 :: 3.576 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.W45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.13 E 0.13 K 0.11 I 0.1 Q 0.1 H 0.09 R 0.09 M 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 177.019 CA :: 59.061 CB :: 29.131 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 :: 8.853 HA :: 3.868 HB2 :: 3.167 HB3 :: 2.881 HD1 :: 6.801 HE1 :: 9.532 HE3 :: 6.011 HZ2 :: 7.219 HZ3 :: 6.396 HH2 :: 6.788 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 :: 126.239 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.196 CA :: 60.977 CB :: 61.455 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.410 HA :: 3.675 HB2 :: 3.684 HB3 :: 3.684 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 :: 111.980 Ave N Shift Values>> N :: 116.3(3.95) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.15 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.511 CA :: 58.582 CB :: 29.371 CG :: 36.314 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 :: 7.132 HA :: 3.773 HB2 :: 1.807 HB3 :: 1.807 HG2 :: 2.124 HG3 :: 2.000 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 :: 120.189 Ave N Shift Values>> N :: 120.68(3.68) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.977 CA :: 65.286 CB :: 30.807 CG1 :: 21.828 CG2 :: 20.511 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.620 HA :: 2.962 HB :: 1.121 HG11 :: 0.452 HG12 :: 0.452 HG13 :: 0.452 HG21 :: 0.241 HG22 :: 0.241 HG23 :: 0.241 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 :: 119.221 Ave N Shift Values>> N :: 121.02(4.96) 1.E49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.26 I 0.25 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.842 CA :: 60.258 CB :: 28.892 CG :: 35.835 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 :: 8.119 HA :: 3.010 HB2 :: 1.461 HB3 :: 0.991(S) HG2 :: 1.839 HG3 :: 1.767 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 :: 120.091 Ave N Shift Values>> N :: 120.68(3.68) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.3 K 0.13 Q 0.12 M 0.09 I 0.02 C Shift Assignments>> C :: 176.128 CA :: 56.307 CB :: 29.849 CG :: 35.596 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 :: 7.178 HA :: 3.884 HB2 :: 1.861 HB3 :: 1.702 HG2 :: 2.124 HG3 :: 2.124 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 :: 114.147 Ave N Shift Values>> N :: 120.68(3.68) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 178.172 CA :: 53.075 CB :: 19.314 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.677 HA :: 3.889 HB1 :: 1.278 HB2 :: 1.278 HB3 :: 1.278 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.976 Ave N Shift Values>> N :: 123.23(3.7) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.3 C 0.13 L 0.07 F 0.05 K 0.01 C Shift Assignments>> C :: 175.051 CA :: 52.117 CB :: 39.906 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 :: 7.821 HA :: 4.429 HB2 :: 2.941 HB3 :: 2.675 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 :: 122.297 Ave N Shift Values>> N :: 120.73(4.2) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 C 0.26 P 0.2 A 0.08 N 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 174.076 CA :: 48.047 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.856 HA2 :: 3.233 HA3 :: 3.174 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.729 Ave N Shift Values>> N :: 109.91(4.29) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.01 G 0.01 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> C :: 178.223 CA :: 60.019 CB :: 32.244 CG :: 24.941 CD :: 29.371 CE :: 42.061 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 :: 7.951 HA :: 3.608 HB2 :: 1.667 HB3 :: 1.667 HG2 :: 1.133 HG3 :: 1.133 HD2 :: 1.502 HD3 :: 1.502 HE2 :: 2.830 HE3 :: 2.830 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 :: 119.884 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.32 R 0.31 M 0.01 C Shift Assignments>> C :: 178.274 CA :: 57.385 CB :: 31.286 CG :: 24.103 CD :: 27.934 CE :: 42.061 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 :: 8.270 HA :: 4.065 HB2 :: 1.786 HB3 :: 1.707 HG2 :: 1.445 HG3 :: 1.238 HD2 :: 1.682 HD3 :: 1.508 HE2 :: 2.757 HE3 :: 2.757 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.464 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.42 R 0.1 K 0.02 C Shift Assignments>> C :: 177.621 CA :: 57.385 CB :: 41.103 CG :: 26.737 CD1 :: 27.455 CD2 :: 23.624 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 :: 8.976 HA :: 3.866 HB2 :: 1.790 HB3 :: 1.125 HG :: 1.421 HD11 :: 0.718 HD12 :: 0.718 HD13 :: 0.718 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 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 :: 120.142 Ave N Shift Values>> N :: 121.98(4.07) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.32 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 178.257 CA :: 55.469 CB :: 18.356 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.774 HA :: 3.704 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.222 Ave N Shift Values>> N :: 123.23(3.7) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.14 K 0.09 Q 0.05 M 0.03 C Shift Assignments>> C :: 178.562 CA :: 59.300 CB :: 29.610 CG :: 35.835 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 :: 7.402 HA :: 3.701 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.276 HG3 :: 1.963 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 :: 116.974 Ave N Shift Values>> N :: 120.68(3.68) 1.I59 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 :: 179.927 CA :: 65.286 CB :: 38.948 CG1 :: 28.652 CG2 :: 16.680 CD1 :: 14.525 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 :: 8.527 HA :: 3.593 HB :: 1.750 HG12 :: 1.732 HG13 :: 0.891 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 HD11 :: 0.516 HD12 :: 0.516 HD13 :: 0.516 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 :: 119.943 Ave N Shift Values>> N :: 121.6(4.72) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.43 R 0.04 HN Overlap>> 1.Q13 1.Q13 C Shift Assignments>> C :: 178.248 CA :: 59.300 CB :: 41.103 CG :: 27.216 CD1 :: 25.300 CD2 :: 23.385 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 :: 8.476 HA :: 3.749 HB2 :: 1.972 HB3 :: 1.121 HG :: 1.898 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.940 HD22 :: 0.940 HD23 :: 0.940 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 :: 119.369 Ave N Shift Values>> N :: 121.98(4.07) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> 1.N81 1.N81 C Shift Assignments>> C :: 178.002 CA :: 65.047 CB :: 31.286 CG1 :: 21.469 CG2 :: 21.469 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 :: 8.017 HA :: 3.818 HB :: 2.061 HG11 :: 0.894 HG12 :: 0.894 HG13 :: 0.894 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 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 :: 114.544 Ave N Shift Values>> N :: 121.02(4.96) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.22 D 0.21 F 0.16 L 0.06 E 0.03 I 0.02 HN Overlap>> 1.K28 1.K28 C Shift Assignments>> C :: 176.730 CA :: 54.991 CB :: 38.948 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 :: 8.131 HA :: 4.522 HB2 :: 2.819 HB3 :: 2.643 HD21 :: 7.556 HD22 :: 6.944 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 :: 116.257 ND2 :: 112.771 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.153 CA :: 62.653 CB :: 72.230 CG2 :: 20.990 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 :: 7.488 HA :: 4.238 HB :: 3.733 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 106.395 Ave N Shift Values>> N :: 115.7(5.05) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 180.122 CA :: 58.343 CB :: 65.765 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.727 HA :: 4.850 HB2 :: 3.623 HB3 :: 3.474 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 :: 116.685 Ave N Shift Values>> N :: 116.3(3.95) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.958 CA :: 58.103 CB :: 64.329 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.242 HB2 :: 4.128 HB3 :: 4.128 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) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 I 0.29 E 0.28 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.291 CA :: 60.258 CB :: 29.131 CG :: 36.314 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 :: 8.931 HA :: 3.737 HB2 :: 2.101 HB3 :: 1.948 HG2 :: 2.342 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 :: 121.769 Ave N Shift Values>> N :: 120.68(3.68) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 F 0.22 E 0.12 N 0.11 D 0.08 I 0.06 L 0.03 M 0.02 C Shift Assignments>> C :: 177.273 CA :: 56.427 CB :: 38.230 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 :: 8.755 HA :: 4.263 HB2 :: 2.765 HB3 :: 2.669 HD21 :: 7.633 HD22 :: 6.959 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 :: 115.583 ND2 :: 113.147 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 P 0.15 V 0.14 C 0.13 W 0.1 E 0.03 R 0.03 H 0.02 K 0.01 Q 0.01 C Shift Assignments>> C :: 178.596 CA :: 62.413 CB :: 29.610 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 :: 7.702 HA :: 3.925 HB2 :: 3.371 HB3 :: 3.175 HD1 :: 7.282 HE1 :: 10.237 HE3 :: 7.203 HZ3 :: 6.599 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 :: 121.515 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I69 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 :: 179.079 CA :: 66.005 CB :: 38.948 CG1 :: 29.849 CG2 :: 18.596 CD1 :: 14.765 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 :: 8.606 HA :: 3.267 HB :: 1.906 HG12 :: 2.176 HG13 :: 0.790 HG21 :: 0.785 HG22 :: 0.785 HG23 :: 0.785 HD11 :: 0.715 HD12 :: 0.715 HD13 :: 0.715 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 :: 118.268 Ave N Shift Values>> N :: 121.6(4.72) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 G 0.15 K 0.05 C Shift Assignments>> C :: 176.798 CA :: 60.019 CB :: 30.328 CG :: 28.173 CD :: 43.737 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 :: 8.461 HA :: 3.819 HB2 :: 1.719 HB3 :: 1.719 HG2 :: 1.704 HG3 :: 1.515 HD2 :: 3.110 HD3 :: 3.110 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 :: 120.806 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.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 F 0.26 D 0.14 N 0.11 I 0.06 L 0.06 E 0.05 C Shift Assignments>> C :: 176.942 CA :: 56.427 CB :: 38.948 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 :: 7.304 HA :: 4.054 HB2 :: 2.507 HB3 :: 2.418 HD21 :: 7.561 HD22 :: 6.870 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 :: 114.923 ND2 :: 113.721 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.71 A 0.22 I 0.03 C 0.01 C Shift Assignments>> C :: 178.443 CA :: 54.751 CB :: 16.201 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.239 HA :: 2.907 HB1 :: -0.294(S) HB2 :: -0.294(S) HB3 :: -0.294(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.770 Ave N Shift Values>> N :: 123.23(3.7) 1.T73 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 :: 175.942 CA :: 68.399 CB :: 68.160 CG2 :: 20.990 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 :: 7.792 HA :: 3.324 HB :: 3.796 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 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 :: 111.374 Ave N Shift Values>> N :: 115.7(5.05) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.112 CA :: 66.963 CB :: 31.765 CG1 :: 22.666 CG2 :: 21.469 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 :: 7.146 HA :: 3.324 HB :: 1.854 HG11 :: 0.815 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 0.698 HG22 :: 0.698 HG23 :: 0.698 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.690 Ave N Shift Values>> N :: 121.02(4.96) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 C 0.29 D 0.11 I 0.09 N 0.07 L 0.05 E 0.05 C Shift Assignments>> C :: 178.240 CA :: 56.906 CB :: 38.948 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 :: 7.452 HA :: 4.195 HB2 :: 2.669 HB3 :: 2.576 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 :: 116.733 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.773 CA :: 65.765 CB :: 37.751 CG1 :: 29.849 CG2 :: 19.793 CD1 :: 12.849 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 :: 8.490 HA :: 3.420 HB :: 1.267 HG12 :: 1.367 HG13 :: 0.351 HG21 :: 0.351 HG22 :: 0.351 HG23 :: 0.351 HD11 :: -0.176 HD12 :: -0.176 HD13 :: -0.176 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 :: 121.239 Ave N Shift Values>> N :: 121.6(4.72) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.45 R 0.05 C Shift Assignments>> C :: 179.139 CA :: 58.343 CB :: 41.103 CG :: 26.737 CD1 :: 26.737 CD2 :: 22.666 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 :: 7.844 HA :: 3.969 HB2 :: 1.787 HB3 :: 1.174 HG :: 2.104 HD11 :: 0.539 HD12 :: 0.539 HD13 :: 0.539 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 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 :: 117.588 Ave N Shift Values>> N :: 121.98(4.07) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.23 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.750 CA :: 59.779 CB :: 29.371 CG :: 36.314 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 :: 7.915 HA :: 3.865 HB2 :: 2.218 HB3 :: 1.948 HG2 :: 2.081 HG3 :: 2.081 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 :: 118.176 Ave N Shift Values>> N :: 120.68(3.68) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.19 K 0.18 Q 0.16 I 0.09 R 0.02 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 178.494 CA :: 59.061 CB :: 28.173 CG :: 34.878 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 :: 8.087 HA :: 3.902 HB2 :: 2.153 HB3 :: 1.982 HG2 :: 2.314 HG3 :: 2.254 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 :: 123.184 Ave N Shift Values>> N :: 120.68(3.68) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.31 E 0.17 Q 0.11 K 0.01 C Shift Assignments>> C :: 175.026 CA :: 57.146 CB :: 34.638 CG :: 32.483 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 :: 8.018 HA :: 3.925 HB2 :: 2.378 HB3 :: 1.771 HG2 :: 2.588 HG3 :: 2.242 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 :: 116.350 Ave N Shift Values>> N :: 120.1(3.88) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.29 E 0.12 F 0.07 D 0.06 M 0.05 K 0.01 I 0.01 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 175.034 CA :: 54.272 CB :: 37.272 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 :: 7.970 HA :: 4.239 HB2 :: 3.099 HB3 :: 2.670 HD21 :: 7.442 HD22 :: 6.682 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 :: 114.563 ND2 :: 112.285 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.34 A 0.23 C Shift Assignments>> C :: 177.086 CA :: 52.596 CB :: 39.188 CG :: 26.497 CD1 :: 26.497 CD2 :: 22.427 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 :: 7.603 HA :: 4.652 HB2 :: 1.602 HB3 :: 1.466 HG :: 1.453 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.751 HD22 :: 0.751 HD23 :: 0.751 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 :: 120.764 Ave N Shift Values>> N :: 121.98(4.07) 1.T83 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 :: 177.010 CA :: 66.244 CB :: 68.639 CG2 :: 21.948 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 :: 7.330 HA :: 3.526 HB :: 3.920 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 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 :: 114.580 Ave N Shift Values>> N :: 115.7(5.05) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.27 I 0.22 K 0.09 Q 0.04 HN Overlap>> 1.A89 1.A89 C Shift Assignments>> C :: 179.486 CA :: 59.300 CB :: 28.413 CG :: 36.075 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 :: 8.474 HA :: 3.914 HB2 :: 1.924 HB3 :: 1.924 HG2 :: 2.187 HG3 :: 2.187 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 :: 121.601 Ave N Shift Values>> N :: 120.68(3.68) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 R 0.07 C Shift Assignments>> C :: 178.401 CA :: 57.385 CB :: 41.821 CG :: 26.976 CD1 :: 25.300 CD2 :: 24.103 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 :: 8.105 HA :: 3.983 HB2 :: 1.525 HB3 :: 1.337 HG :: 1.507 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.657 HD22 :: 0.657 HD23 :: 0.657 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 :: 121.808 Ave N Shift Values>> N :: 121.98(4.07) 1.C86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.39 C 0.08 R 0.02 V 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 175.916 CA :: 62.892 CB :: 26.018 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.594 HA :: 3.679 HB2 :: 2.793 HB3 :: 2.653 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 :: 118.556 Ave N Shift Values>> N :: 119.95(4.79) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.14 M 0.02 C Shift Assignments>> C :: 179.520 CA :: 60.019 CB :: 32.244 CG :: 25.061 CD :: 29.610 CE :: 41.821 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 :: 7.698 HA :: 3.736 HB2 :: 1.786 HB3 :: 1.786 HG2 :: 1.487 HG3 :: 1.244 HD2 :: 1.514 HD3 :: 1.514 HE2 :: 2.757 HE3 :: 2.757 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 :: 118.407 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.35 Q 0.1 K 0.07 E 0.02 R 0.01 C Shift Assignments>> C :: 177.510 CA :: 58.582 CB :: 32.244 CG :: 31.765 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 :: 7.559 HA :: 4.028 HB2 :: 2.028 HB3 :: 1.971 HG2 :: 2.524 HG3 :: 2.286 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 :: 119.734 Ave N Shift Values>> N :: 120.1(3.88) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.37 C 0.03 I 0.03 V 0.01 HN Overlap>> 1.E84 1.E84 C Shift Assignments>> C :: 178.978 CA :: 55.230 CB :: 18.596 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.437 HA :: 3.655 HB1 :: 1.214 HB2 :: 1.214 HB3 :: 1.214 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.620 Ave N Shift Values>> N :: 123.23(3.7) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.3 K 0.27 G 0.01 C Shift Assignments>> C :: 178.978 CA :: 59.779 CB :: 32.723 CG :: 26.737 CD :: 29.610 CE :: 42.061 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 :: 8.314 HA :: 3.603 HB2 :: 1.678 HB3 :: 1.678 HG2 :: 1.564 HG3 :: 1.212 HD2 :: 1.503 HD3 :: 1.503 HE2 :: 2.728 HE3 :: 2.728 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.186 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 179.894 CA :: 54.512 CB :: 18.596 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.552 HA :: 3.984 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.564 Ave N Shift Values>> N :: 123.23(3.7) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.29 M 0.14 Q 0.12 K 0.09 I 0.03 C Shift Assignments>> C :: 178.002 CA :: 57.385 CB :: 30.568 CG :: 35.357 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 :: 8.039 HA :: 4.127 HB2 :: 2.015 HB3 :: 1.714 HG2 :: 2.283 HG3 :: 2.283 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 :: 113.930 Ave N Shift Values>> N :: 120.68(3.68) 1.M93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.33 Q 0.07 E 0.06 C Shift Assignments>> C :: 175.857 CA :: 56.427 CB :: 33.680 CG :: 33.920 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 :: 8.022 HA :: 4.383 HB2 :: 1.953 HB3 :: 1.855 HG2 :: 2.523 HG3 :: 2.194 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 :: 114.841 Ave N Shift Values>> N :: 120.1(3.88) 1.M94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.38 Q 0.1 K 0.02 E 0.02 C Shift Assignments>> C :: 175.967 CA :: 55.469 CB :: 32.483 CG :: 32.483 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 :: 7.680 HA :: 4.335 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 2.427 HG3 :: 2.384 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 :: 118.250 Ave N Shift Values>> N :: 120.1(3.88) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.09 M 0.09 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.154 CA :: 56.427 CB :: 30.089 CG :: 36.075 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 :: 8.215 HA :: 4.124 HB2 :: 1.901 HB3 :: 1.796 HG2 :: 2.102 HG3 :: 2.102 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 :: 121.620 Ave N Shift Values>> N :: 120.68(3.68) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.2 K 0.13 C 0.12 F 0.09 N 0.09 R 0.03 C Shift Assignments>> C :: 176.985 CA :: 54.512 CB :: 41.103 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 :: 8.377 HA :: 4.419 HB2 :: 2.552 HB3 :: 2.552 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 :: 121.427 Ave N Shift Values>> N :: 120.73(4.2) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.551 CA :: 45.652 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.338 HA2 :: 3.790 HA3 :: 3.790 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.247 Ave N Shift Values>> N :: 109.91(4.29) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.25 C 0.24 E 0.1 M 0.06 R 0.06 C Shift Assignments>> C :: 176.230 CA :: 55.948 CB :: 29.131 CG :: 33.680 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 :: 8.122 HA :: 4.127 HB2 :: 1.960 HB3 :: 1.836 HG2 :: 2.183 HG3 :: 2.183 HE21 :: 7.489 HE22 :: 6.726 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 :: 119.093 NE2 :: 112.622 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 177.358 CA :: 55.469 CB :: 42.061 CG :: 26.976 CD1 :: 24.821 CD2 :: 23.385 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 :: 8.071 HA :: 4.080 HB2 :: 1.444 HB3 :: 1.362 HG :: 1.421 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 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 :: 121.996 Ave N Shift Values>> N :: 121.98(4.07) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.31 K 0.11 M 0.1 Q 0.09 I 0.03 C Shift Assignments>> C :: 176.171 CA :: 56.427 CB :: 30.089 CG :: 35.835 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 :: 8.153 HA :: 3.994 HB2 :: 1.720 HB3 :: 1.720 HG2 :: 2.024 HG3 :: 1.983 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 :: 120.271 Ave N Shift Values>> N :: 120.68(3.68) 1.H101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 0 C Shift Results: #Consistent: 417 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 706 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 101 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L16 HD21 = -0.266(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.4803e-04 1.L16 HD22 = -0.266(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.4803e-04 1.L16 HD23 = -0.266(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.4803e-04 1.E49 HB3 = 0.991(S), Expected = 2.04, Std = 0.2300, ChiSquare = 5.0942e-06 1.A72 HB1 = -0.294(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.1420e-11 1.A72 HB2 = -0.294(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.1420e-11 1.A72 HB3 = -0.294(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.1420e-11