Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.26 M 0.23 Q 0.19 R 0.08 P 0.08 E 0.07 I 0.06 C Shift Assignments>> C :: 171.828 CA :: 61.903 CB :: 32.555 CG :: 30.578 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.155 HB2 :: 2.146 HB3 :: 2.146 HG2 :: 2.575 HG3 :: 2.575 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.24 L 0.14 F 0.11 Y 0.1 K 0.04 C Shift Assignments>> C :: 175.639 CA :: 54.029 CB :: 40.198 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 :: 8.830 HA :: 4.699 HB2 :: 2.796 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 :: 123.392 Ave N Shift Values>> N :: 120.73(4.2) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.33 E 0.16 R 0.08 M 0.05 I 0.01 C Shift Assignments>> C :: 176.354 CA :: 56.162 CB :: 28.702 CG :: 33.993 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 :: 8.663 HA :: 4.406 HB2 :: 1.955 HB3 :: 2.175 HG2 :: 2.378 HG3 :: 2.378 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 :: 121.824 Ave N Shift Values>> N :: 120.68(3.68) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.271 CA :: 62.425 CB :: 69.672 CG2 :: 21.284 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 :: 8.285 HA :: 4.267 HB :: 4.215 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 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 :: 114.607 Ave N Shift Values>> N :: 115.7(5.05) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 173.668 CA :: 45.297 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.436 HA2 :: 3.942 HA3 :: 3.942 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.345 Ave N Shift Values>> N :: 109.91(4.29) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.33 G 0.06 M 0.05 C Shift Assignments>> C :: 176.029 CA :: 55.538 CB :: 33.257 CG :: 24.283 CD :: 28.762 CE :: 43.006 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 :: 8.017 HA :: 4.387 HB2 :: 1.796 HB3 :: 1.796 HG2 :: 1.312 HG3 :: 1.312 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.961 HE3 :: 2.961 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 :: 119.783 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 M 0.24 E 0.2 K 0.2 R 0.01 HN Overlap>> 1.N38 1.N38 C Shift Assignments>> C :: 174.014 CA :: 55.404 CB :: 30.382 CG :: 34.221 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 :: 8.584 HA :: 4.495 HB2 :: 1.995 HB3 :: 1.995 HG2 :: 2.343 HG3 :: 2.343 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 :: 122.414 Ave N Shift Values>> N :: 120.68(3.68) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.34 A 0.06 C Shift Assignments>> C :: 177.329 CA :: 53.188 CB :: 45.173 CG :: 26.575 CD1 :: 25.093 CD2 :: 22.836 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 :: 8.414 HA :: 5.381 HB2 :: 1.693 HB3 :: 1.350 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 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 :: 122.989 Ave N Shift Values>> N :: 121.98(4.07) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 A 0.25 I 0.16 C Shift Assignments>> C :: 172.368 CA :: 57.854 CB :: 35.864 CG1 :: 23.331 CG2 :: 20.257 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 :: 9.125 HA :: 5.232 HB :: 1.995 HG11 :: 1.040 HG12 :: 1.040 HG13 :: 1.040 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 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 :: 111.709 Ave N Shift Values>> N :: 121.02(4.96) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.28 A 0.07 C Shift Assignments>> C :: 176.549 CA :: 52.445 CB :: 46.776 CG :: 26.819 CD1 :: 26.040 CD2 :: 23.620 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 :: 8.989 HA :: 5.113 HB2 :: 1.708 HB3 :: 1.379 HG :: 1.261 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 123.520 Ave N Shift Values>> N :: 121.98(4.07) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C Shift Assignments>> C :: 178.282 CA :: 52.416 CB :: 19.274 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.163 HA :: 4.602 HB1 :: 1.662 HB2 :: 1.662 HB3 :: 1.662 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.272 Ave N Shift Values>> N :: 123.23(3.7) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 A 0.19 G 0.1 R 0.05 C Shift Assignments>> C :: 174.946 CA :: 55.442 CB :: 43.110 CG :: 26.222 CD1 :: 24.954 CD2 :: 21.333 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 :: 9.257 HA :: 3.898 HB2 :: 0.700 HB3 :: 1.152 HG :: 1.381 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 HD21 :: 0.655 HD22 :: 0.655 HD23 :: 0.655 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 :: 127.769 Ave N Shift Values>> N :: 121.98(4.07) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 G 0.25 C Shift Assignments>> C :: 173.668 CA :: 54.720 CB :: 43.043 CD1 :: 133.721 CD2 :: 133.691 CE1 :: 117.223 CE2 :: 117.223 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 :: 7.129 HA :: 4.633 HB2 :: 3.065 HB3 :: 2.102 HD1 :: 6.672 HD2 :: 6.672 HE1 :: 6.615 HE2 :: 6.615 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 :: 111.673 Ave N Shift Values>> N :: 120.79(4.69) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 K 0.14 F 0.1 N 0.09 Y 0.08 R 0.03 C Shift Assignments>> C :: 176.051 CA :: 54.571 CB :: 41.136 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 :: 8.347 HA :: 4.633 HB2 :: 2.852 HB3 :: 2.616 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 :: 117.814 Ave N Shift Values>> N :: 120.73(4.2) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 G 0.26 C Shift Assignments>> C :: 172.758 CA :: 59.454 CB :: 43.400 CD1 :: 133.229 CD2 :: 133.229 CE1 :: 118.046 CE2 :: 118.046 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 :: 8.748 HA :: 4.654 HB2 :: 3.018 HB3 :: 2.847 HD1 :: 7.312 HD2 :: 7.312 HE1 :: 6.999 HE2 :: 6.999 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.213 Ave N Shift Values>> N :: 120.79(4.69) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.34 M 0.1 R 0.08 E 0.06 C Shift Assignments>> C :: 173.863 CA :: 53.534 CB :: 29.071 CG :: 33.489 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 :: 7.558 HA :: 4.500 HB2 :: 1.751 HB3 :: 1.751 HG2 :: 2.257 HG3 :: 2.257 HE21 :: 7.501 HE22 :: 6.822 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 :: 126.986 NE2 :: 112.012 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.33 R 0.12 M 0.1 E 0.07 HN Overlap>> 1.D70 1.D70 C Shift Assignments>> C :: 175.899 CA :: 55.935 CB :: 28.948 CG :: 33.172 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 :: 7.979 HA :: 4.182 HB2 :: 1.779 HB3 :: 1.779 HG2 :: 2.228 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 :: 123.063 Ave N Shift Values>> N :: 120.68(3.68) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.29 M 0.03 G 0.01 C Shift Assignments>> C :: 176.138 CA :: 55.393 CB :: 33.393 CG :: 24.007 CD :: 28.165 CE :: 42.125 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 :: 8.771 HA :: 4.390 HB2 :: 1.998 HB3 :: 1.998 HG2 :: 1.489 HG3 :: 1.489 HD2 :: 1.658 HD3 :: 1.658 HE2 :: 2.976 HE3 :: 2.976 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 :: 120.853 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.821 CB :: 64.208 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.658 HA :: 4.863 HB2 :: 4.079 HB3 :: 3.714 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 :: 115.089 Ave N Shift Values>> N :: 116.3(3.95) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.657 CA :: 64.803 CB :: 31.657 CG :: 27.351 CD :: 51.147 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 :: 4.521 HB2 :: 2.462 HB3 :: 2.462 HG2 :: 2.062 HG3 :: 1.967 HD2 :: 3.873 HD3 :: 3.763 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.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.17 G 0.08 L 0.02 C Shift Assignments>> C :: 173.386 CA :: 56.119 CB :: 30.299 CG :: 26.998 CD :: 43.130 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.694 HA :: 4.593 HB2 :: 1.939 HB3 :: 1.860 HG2 :: 1.356 HG3 :: 1.356 HD2 :: 2.977 HD3 :: 2.854 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 :: 113.827 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.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.35 Q 0.02 C Shift Assignments>> C :: 174.491 CA :: 54.951 CB :: 33.588 CG :: 36.260 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 :: 7.850 HA :: 5.487 HB2 :: 2.220 HB3 :: 2.220 HG2 :: 2.398 HG3 :: 2.398 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 :: 121.389 Ave N Shift Values>> N :: 120.68(3.68) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 172.541 CA :: 59.793 CB :: 34.667 CG1 :: 20.450 CG2 :: 20.227 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 :: 7.410 HA :: 4.531 HB :: 1.845 HG11 :: 0.575 HG12 :: 0.575 HG13 :: 0.575 HG21 :: 0.616 HG22 :: 0.616 HG23 :: 0.616 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 :: 113.069 Ave N Shift Values>> N :: 121.02(4.96) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.274 CA :: 61.708 CB :: 70.934 CG2 :: 21.443 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 :: 7.362 HA :: 5.085 HB :: 3.975 HG21 :: 1.347 HG22 :: 1.347 HG23 :: 1.347 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 :: 118.283 Ave N Shift Values>> N :: 115.7(5.05) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 I 0.02 HN Overlap>> 1.V44 1.V44 C Shift Assignments>> C :: 173.841 CA :: 54.328 CB :: 36.287 CG :: 30.997 CE :: 18.800 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 :: 9.523 HA :: 4.929 HB2 :: 2.181 HB3 :: 1.876 HG2 :: 2.704 HG3 :: 2.570 HE1 :: 0.891 HE2 :: 0.891 HE3 :: 0.891 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 :: 121.971 Ave N Shift Values>> N :: 120.1(3.88) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.13 M 0.02 A 0.02 G 0.01 C Shift Assignments>> C :: 174.968 CA :: 53.699 CB :: 34.097 CG :: 24.035 CD :: 28.480 CE :: 41.885 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 :: 8.820 HA :: 4.879 HB2 :: 1.710 HB3 :: 1.710 HG2 :: 1.428 HG3 :: 1.428 HE2 :: 2.983 HE3 :: 2.983 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.399 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 K 0.38 G 0.1 M 0.09 C Shift Assignments>> C :: 177.307 CA :: 58.078 CB :: 32.269 CG :: 23.790 CD :: 29.383 CE :: 43.312 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.013 HA :: 4.837 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.453 HG3 :: 1.453 HD2 :: 1.614 HD3 :: 1.614 HE2 :: 3.285 HE3 :: 3.285 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.619 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.16 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.014 CA :: 44.564 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.902 HA2 :: 3.538 HA3 :: 4.481 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.785 Ave N Shift Values>> N :: 109.91(4.29) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.21 K 0.17 F 0.13 Y 0.11 N 0.06 R 0.04 I 0.01 C Shift Assignments>> C :: 174.274 CA :: 55.353 CB :: 41.146 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 :: 8.511 HA :: 4.523 HB2 :: 2.836 HB3 :: 2.599 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 :: 122.243 Ave N Shift Values>> N :: 120.73(4.2) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.246 CA :: 60.366 CB :: 38.210 CG1 :: 27.265 CG2 :: 18.235 CD1 :: 13.400 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 :: 8.227 HA :: 5.036 HB :: 1.747 HG12 :: 1.102 HG13 :: 1.689 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 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 :: 120.587 Ave N Shift Values>> N :: 121.6(4.72) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.28 R 0.22 K 0.05 C Shift Assignments>> C :: 175.596 CA :: 53.414 CB :: 43.893 CG :: 27.845 CD1 :: 26.575 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 :: 9.353 HA :: 5.010 HB2 :: 1.658 HB3 :: 1.459 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 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 :: 128.265 Ave N Shift Values>> N :: 121.98(4.07) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.559 CA :: 63.046 CB :: 69.576 CG2 :: 21.919 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 :: 8.146 HA :: 4.629 HB :: 4.045 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 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 :: 117.027 Ave N Shift Values>> N :: 115.7(5.05) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 G 0.12 A 0.04 R 0.03 C Shift Assignments>> C :: 174.513 CA :: 54.894 CB :: 43.191 CG :: 25.720 CD1 :: 23.196 CD2 :: 25.052 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 :: 9.070 HA :: 4.351 HB2 :: 1.808 HB3 :: 1.808 HG :: 1.156 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.387 HD22 :: 0.387 HD23 :: 0.387 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.212 Ave N Shift Values>> N :: 121.98(4.07) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 A 0.24 G 0.08 R 0.06 C Shift Assignments>> C :: 177.502 CA :: 54.885 CB :: 42.990 CG :: 26.091 CD1 :: 25.646 CD2 :: 21.415 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 :: 9.060 HA :: 4.523 HB2 :: 1.412 HB3 :: 1.146 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.689 HD22 :: 0.689 HD23 :: 0.689 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 :: 125.818 Ave N Shift Values>> N :: 121.98(4.07) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 K 0.12 N 0.11 F 0.1 Y 0.09 R 0.02 C Shift Assignments>> C :: 174.318 CA :: 54.502 CB :: 40.933 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 :: 7.617 HA :: 4.736 HB2 :: 2.794 HB3 :: 2.644 HD21 :: 7.971 HD22 :: 7.212 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 :: 114.008 ND2 :: 114.860 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.364 CA :: 56.915 CB :: 62.042 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.172 HA :: 3.940 HB2 :: 2.857(S) HB3 :: 2.045(S) 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 :: 123.608 Ave N Shift Values>> N :: 116.3(3.95) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.249 CA :: 65.381 CB :: 69.489 CG2 :: 21.651 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 :: 8.184 HA :: 3.980 HB :: 4.257 HG21 :: 1.306 HG22 :: 1.306 HG23 :: 1.306 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 :: 115.130 Ave N Shift Values>> N :: 115.7(5.05) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.27 L 0.14 F 0.08 Y 0.07 K 0.04 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 174.599 CA :: 53.337 CB :: 40.376 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 :: 8.681 HA :: 4.867 HB2 :: 3.694 HB3 :: 2.905 HD21 :: 7.942 HD22 :: 7.325 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 :: 122.469 ND2 :: 114.092 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.3 M 0.06 G 0.01 HN Overlap>> 1.T49 1.T49 C Shift Assignments>> C :: 176.268 CA :: 58.333 CB :: 32.371 CG :: 23.965 CD :: 29.044 CE :: 41.913 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 :: 8.516 HA :: 4.247 HB2 :: 1.834 HB3 :: 1.834 HG2 :: 1.438 HG3 :: 1.438 HE2 :: 3.072 HE3 :: 3.072 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 :: 120.915 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.26 D 0.13 K 0.11 F 0.05 Y 0.04 G 0.03 N 0.01 C Shift Assignments>> C :: 176.852 CA :: 55.083 CB :: 43.014 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 :: 8.210 HA :: 4.544 HB2 :: 2.649 HB3 :: 2.286 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 :: 114.512 Ave N Shift Values>> N :: 120.73(4.2) 1.W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.166 CA :: 56.005 CB :: 32.019 CD1 :: 127.653 CE3 :: 120.069 CZ2 :: 114.332 CZ3 :: 120.358 CH2 :: 125.426 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 :: 8.212 HA :: 5.078 HB2 :: 2.803 HB3 :: 2.949 HD1 :: 7.086 HE1 :: 10.092 HE3 :: 7.084 HZ2 :: 7.387 HZ3 :: 6.607 HH2 :: 7.224 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 :: 122.703 NE1 :: 128.939 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.144 CA :: 53.861 CB :: 31.543 CD1 :: 125.153 CE3 :: 119.158 CZ2 :: 114.345 CZ3 :: 120.201 CH2 :: 124.214 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.380 HA :: 5.523 HB2 :: 2.983 HB3 :: 2.801 HD1 :: 7.539 HE1 :: 9.309 HE3 :: 7.084 HZ2 :: 7.543 HZ3 :: 6.706 HH2 :: 7.217 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 :: 124.905 NE1 :: 129.347 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.14 M 0.03 G 0.01 C Shift Assignments>> C :: 175.423 CA :: 55.231 CB :: 34.366 CG :: 24.187 CD :: 28.764 CE :: 41.885 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 :: 8.896 HA :: 4.396 HB2 :: 1.744 HB3 :: 1.744 HG2 :: 1.540 HG3 :: 1.540 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.980 HE3 :: 2.980 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.120 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 I 0.2 A 0.17 HN Overlap>> 1.M25 1.M25 C Shift Assignments>> C :: 173.234 CA :: 58.751 CB :: 36.378 CG1 :: 21.001 CG2 :: 18.391 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 :: 9.430 HA :: 5.375 HB :: 2.113 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 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 :: 121.984 Ave N Shift Values>> N :: 121.02(4.96) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 E 0.18 Q 0.11 K 0.01 C Shift Assignments>> C :: 174.621 CA :: 54.139 CB :: 32.891 CG :: 34.923 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 :: 8.757 HA :: 5.423 HB2 :: 1.985 HB3 :: 1.871 HG2 :: 2.197 HG3 :: 2.197 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 :: 118.425 Ave N Shift Values>> N :: 120.68(3.68) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 M 0.35 I 0.13 C Shift Assignments>> C :: 173.234 CA :: 59.627 CB :: 35.290 CG1 :: 20.297 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 :: 9.089 HA :: 4.669 HB :: 2.059 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.694 Ave N Shift Values>> N :: 121.02(4.96) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.22 M 0.03 C Shift Assignments>> C :: 175.899 CA :: 55.404 CB :: 33.959 CG :: 24.882 CD :: 29.115 CE :: 41.746 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 :: 8.455 HA :: 5.022 HB2 :: 1.696 HB3 :: 1.696 HG2 :: 1.391 HG3 :: 1.233 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.893 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 174.144 CA :: 59.646 CB :: 41.170 CG1 :: 25.291 CG2 :: 17.185 CD1 :: 12.746 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 :: 8.989 HA :: 4.529 HB :: 1.606 HG12 :: 1.539 HG13 :: 1.539 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.447 Ave N Shift Values>> N :: 121.6(4.72) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.K39 1.K39 C Shift Assignments>> C :: 174.318 CA :: 61.301 CB :: 69.853 CG2 :: 21.260 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 :: 8.570 HA :: 5.272 HB :: 3.850 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 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 :: 121.012 Ave N Shift Values>> N :: 115.7(5.05) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.899 CA :: 61.070 CB :: 34.452 CG1 :: 20.331 CG2 :: 20.330 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 :: 9.104 HA :: 4.292 HB :: 2.042 HG11 :: 0.929 HG12 :: 0.929 HG13 :: 0.929 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 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 :: 126.754 Ave N Shift Values>> N :: 121.02(4.96) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 Y 0.15 E 0.13 F 0.09 D 0.08 M 0.05 K 0.01 I 0.01 L 0.01 C Shift Assignments>> C :: 175.249 CA :: 54.177 CB :: 37.413 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 :: 9.619 HA :: 4.390 HB2 :: 3.112 HB3 :: 2.768 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 :: 127.590 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 176.398 CA :: 45.443 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.535 HA2 :: 3.555 HA3 :: 4.120 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.845 Ave N Shift Values>> N :: 109.91(4.29) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.1 M 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 174.513 CA :: 54.807 CB :: 34.440 CG :: 23.851 CD :: 28.692 CE :: 41.680 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 :: 7.849 HA :: 4.641 HB2 :: 1.789 HB3 :: 1.789 HG2 :: 1.430 HG3 :: 1.296 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 2.992 HE3 :: 2.992 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 :: 121.989 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.689 CA :: 62.074 CB :: 70.071 CG2 :: 21.566 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 :: 8.445 HA :: 5.167 HB :: 3.827 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 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 :: 118.860 Ave N Shift Values>> N :: 115.7(5.05) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.538 CA :: 56.507 CB :: 40.591 CD1 :: 133.609 CD2 :: 133.659 CE1 :: 117.710 CE2 :: 117.732 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 :: 9.319 HA :: 4.767 HB2 :: 3.033 HB3 :: 2.796 HD1 :: 7.049 HD2 :: 7.049 HE1 :: 6.759 HE2 :: 6.759 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 :: 125.966 Ave N Shift Values>> N :: 120.79(4.69) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 M 0.28 K 0.25 E 0.08 R 0.04 C Shift Assignments>> C :: 175.726 CA :: 54.503 CB :: 30.297 CG :: 33.255 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 :: 8.568 HA :: 5.247 HB2 :: 1.927 HB3 :: 1.927 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 :: 119.827 Ave N Shift Values>> N :: 120.68(3.68) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.37 G 0.1 C Shift Assignments>> C :: 174.166 CA :: 54.944 CB :: 33.362 CG :: 26.622 CD :: 43.066 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 :: 8.971 HA :: 4.710 HB2 :: 1.816 HB3 :: 1.816 HG2 :: 1.643 HG3 :: 1.643 HD2 :: 3.295 HD3 :: 3.211 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.399 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.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 Q 0.26 K 0.11 E 0.05 R 0.01 C Shift Assignments>> C :: 175.726 CA :: 53.251 CB :: 31.229 CG :: 33.234 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 :: 8.634 HA :: 5.602 HB2 :: 1.930 HB3 :: 1.696 HG2 :: 2.361 HG3 :: 2.218 HE21 :: 7.487 HE22 :: 6.750 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 :: 120.188 NE2 :: 110.504 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 170.223 CA :: 45.583 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.644 HA2 :: 3.947 HA3 :: 3.947 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.196 Ave N Shift Values>> N :: 109.91(4.29) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.95 G 0.04 C Shift Assignments>> C :: 175.423 CA :: 58.544 CB :: 42.484 CD1 :: 131.528 CD2 :: 131.528 CE1 :: 131.562 CE2 :: 131.562 CZ :: 129.803 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 :: 9.178 HA :: 5.668 HB2 :: 3.165 HB3 :: 2.604 HD1 :: 7.154 HD2 :: 7.154 HE1 :: 7.430 HE2 :: 7.430 HZ :: 7.373 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.079 Ave N Shift Values>> N :: 120.69(4.18) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 A 0.24 I 0.1 C Shift Assignments>> CA :: 58.189 CB :: 33.744 CG1 :: 22.124 CG2 :: 17.155 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 :: 9.089 HA :: 4.833 HB :: 1.790 HG11 :: 1.089 HG12 :: 1.089 HG13 :: 1.089 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 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 :: 111.060 Ave N Shift Values>> N :: 121.02(4.96) 1.P62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.719 CA :: 61.852 CB :: 29.704 CG :: 27.221 CD :: 49.872 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 :: 3.572 HB2 :: 1.279 HB3 :: 0.835 HG2 :: 0.655(S) HG3 :: 0.655(S) HD2 :: 2.498 HD3 :: 2.202(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.A63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.76 A 0.2 I 0.02 C Shift Assignments>> C :: 178.434 CA :: 54.472 CB :: 15.740 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.477 HA :: 2.655(S) HB1 :: -0.070(S) HB2 :: -0.070(S) HB3 :: -0.070(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.142 Ave N Shift Values>> N :: 123.23(3.7) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.33 C Shift Assignments>> C :: 178.109 CA :: 52.991 CB :: 17.605 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.857 HA :: 4.006 HB1 :: 1.183 HB2 :: 1.183 HB3 :: 1.183 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 113.410 Ave N Shift Values>> N :: 123.23(3.7) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.361 CA :: 56.477 CB :: 37.765 CD1 :: 130.987 CD2 :: 130.987 CE1 :: 118.163 CE2 :: 118.096 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 :: 7.705 HA :: 4.758 HB2 :: 3.384 HB3 :: 3.006 HD1 :: 6.754 HD2 :: 6.754 HE1 :: 6.872 HE2 :: 6.872 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 :: 116.059 Ave N Shift Values>> N :: 120.79(4.69) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 A 0.19 I 0.14 C Shift Assignments>> C :: 173.538 CA :: 58.268 CB :: 35.809 CG1 :: 21.905 CG2 :: 18.922 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 :: 7.422 HA :: 5.547 HB :: 1.900 HG11 :: 0.742 HG12 :: 0.742 HG13 :: 0.742 HG21 :: 0.742 HG22 :: 0.742 HG23 :: 0.742 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 :: 111.003 Ave N Shift Values>> N :: 121.02(4.96) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.2 A 0.05 G 0.03 M 0.02 C Shift Assignments>> C :: 176.029 CA :: 53.828 CB :: 36.636 CG :: 24.035 CD :: 28.706 CE :: 41.805 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 :: 8.636 HA :: 4.840 HB2 :: 1.750 HB3 :: 1.750 HG2 :: 1.410 HG3 :: 1.410 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 3.067 HE3 :: 3.067 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 :: 118.514 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.35 M 0.02 C Shift Assignments>> C :: 176.679 CA :: 58.514 CB :: 32.893 CG :: 25.870 CD :: 29.397 CE :: 41.815 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.246 HA :: 4.494 HB2 :: 2.051 HB3 :: 1.836 HG2 :: 1.367 HG3 :: 1.367 HE2 :: 3.029 HE3 :: 3.029 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 :: 125.817 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.08 A 0.07 G 0.04 C Shift Assignments>> C :: 176.203 CA :: 54.873 CB :: 42.631 CG :: 26.646 CD1 :: 25.264 CD2 :: 22.667 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 :: 8.506 HA :: 4.429 HB2 :: 1.541 HB3 :: 1.541 HG :: 1.246 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.878 HD22 :: 0.878 HD23 :: 0.878 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 :: 125.294 Ave N Shift Values>> N :: 121.98(4.07) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.29 Y 0.1 F 0.09 L 0.07 HN Overlap>> 1.E17 1.E17 C Shift Assignments>> CA :: 53.472 CB :: 39.378 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 :: 8.001 HA :: 4.464 HB2 :: 2.913 HB3 :: 2.913 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.074 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 67 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 70 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 70 #Suspicious: 0 C Shift Results: #Consistent: 328 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 506 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 73 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S36 HB2 = 2.857(S), Expected = 3.88, Std = 0.2900, ChiSquare = 4.1937e-04 1.S36 HB3 = 2.045(S), Expected = 3.87, Std = 0.3100, ChiSquare = 3.9304e-09 1.P62 HG2 = 0.655(S), Expected = 1.93, Std = 0.3600, ChiSquare = 3.9761e-04 1.P62 HG3 = 0.655(S), Expected = 1.92, Std = 0.3700, ChiSquare = 6.2870e-04 1.P62 HD3 = 2.202(S), Expected = 3.63, Std = 0.4000, ChiSquare = 3.5698e-04 1.A63 HA = 2.655(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.3268e-04 1.A63 HB1 = -0.070(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.6315e-09 1.A63 HB2 = -0.070(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.6315e-09 1.A63 HB3 = -0.070(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.6315e-09