Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.27 C Shift Assignments>> C :: 174.844 CA :: 55.841 CB :: 30.002 CD2 :: 120.019 CE1 :: 137.568 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.616 HA :: 4.671 HB2 :: 3.127 HB3 :: 3.188 HD2 :: 7.130 HE1 :: 8.182 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.515 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.38 A 0.16 HN Overlap>> 2.E14 2.E14 C Shift Assignments>> C :: 175.655 CA :: 55.438 CB :: 33.126 CG :: 31.944 CE :: 17.180 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 :: 8.425 HA :: 4.455 HB2 :: 1.992 HB3 :: 2.055 HG2 :: 2.494 HG3 :: 2.540 HE1 :: 2.069 HE2 :: 2.069 HE3 :: 2.069 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 :: 122.410 Ave N Shift Values>> N :: 120.1(3.88) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 C Shift Assignments>> C :: 176.266 CA :: 56.348 CB :: 33.219 CG :: 24.711 CD :: 29.216 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 :: 8.512 HA :: 4.326 HB2 :: 1.847 HB3 :: 1.774 HG2 :: 1.430 HG3 :: 1.461 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 3.017 HE3 :: 3.017 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.656 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.421 CA :: 57.629 CB :: 64.079 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.426 HA :: 4.631 HB2 :: 3.883 HB3 :: 3.729 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 :: 118.350 Ave N Shift Values>> N :: 116.3(3.95) 1.T5 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 :: 174.680 CA :: 62.001 CB :: 70.137 CG2 :: 22.189 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.971 HA :: 4.482 HB :: 4.823 HG21 :: 1.307 HG22 :: 1.307 HG23 :: 1.307 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 127.775 Ave N Shift Values>> N :: 115.7(5.05) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.39 C 0.13 C Shift Assignments>> C :: 177.064 CA :: 63.041 CB :: 40.828 CD1 :: 132.232 CE1 :: 131.247 CZ :: 128.799 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 :: 8.863 HA :: 4.125 HB2 :: 2.985 HB3 :: 3.175 HD1 :: 7.364 HD2 :: 7.364 HE1 :: 6.557 HE2 :: 6.557 HZ :: 6.383 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 :: 123.021 Ave N Shift Values>> N :: 120.69(4.18) 1.K7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 R 0.3 K 0.2 M 0.01 C Shift Assignments>> C :: 177.535 CA :: 60.026 CB :: 33.611 CG :: 26.731 CD :: 30.562 CE :: 41.700 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 :: 8.661 HA :: 3.916 HB2 :: 1.692 HB3 :: 1.786 HG2 :: 1.365 HG3 :: 1.703 HD2 :: 1.377 HD3 :: 1.524 HE2 :: 2.086(S) HE3 :: 2.593 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 :: 114.006 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.689 CA :: 60.007 CB :: 63.759 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.552 HA :: 4.275 HB2 :: 3.851 HB3 :: 3.971 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 :: 111.149 Ave N Shift Values>> N :: 116.3(3.95) 1.E9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.36 C 0.36 M 0.12 I 0.07 K 0.04 Q 0.03 C Shift Assignments>> C :: 176.068 CA :: 58.137 CB :: 30.965 CG :: 36.287 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 :: 7.924 HA :: 3.818 HB2 :: 1.300(S) HB3 :: 1.703 HG2 :: 1.633 HG3 :: 1.982 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 :: 122.296 Ave N Shift Values>> N :: 120.68(3.68) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Y 0.37 F 0.18 C Shift Assignments>> CA :: 53.958 CB :: 41.055 CD2 :: 133.697 CE2 :: 118.410 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 :: 7.052 HA :: 5.066 HB2 :: 2.035 HB3 :: 2.546 HD1 :: 6.551 HD2 :: 6.551 HE1 :: 6.730 HE2 :: 6.730 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 :: 115.131 Ave N Shift Values>> N :: 120.79(4.69) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.33 C Shift Assignments>> C :: 177.384 CA :: 62.279 CB :: 33.087 CG :: 27.764 CD :: 51.233 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 :: 4.708 HB2 :: 2.620 HB3 :: 2.160 HG2 :: 2.101 HG3 :: 2.237 HD2 :: 3.699 HD3 :: 4.069 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.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.42 C 0.13 C Shift Assignments>> C :: 176.157 CA :: 63.156 CB :: 39.935 CD1 :: 132.334 CE1 :: 131.215 CZ :: 129.501 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 :: 9.385 HA :: 3.883 HB2 :: 3.017 HB3 :: 3.466 HD1 :: 7.340 HD2 :: 7.340 HE1 :: 7.255 HE2 :: 7.255 HZ :: 7.159 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 :: 125.307 Ave N Shift Values>> N :: 120.69(4.18) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.32 E 0.22 K 0.03 C Shift Assignments>> C :: 179.598 CA :: 60.317 CB :: 28.642 CG :: 36.817 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.800 HA :: 3.857 HB2 :: 2.119 HB3 :: 2.119 HG2 :: 2.494 HG3 :: 2.537 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 :: 115.356 Ave N Shift Values>> N :: 120.68(3.68) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 M 0.01 C Shift Assignments>> C :: 178.804 CA :: 58.143 CB :: 32.770 CG :: 25.383 CD :: 29.128 CE :: 42.030 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.160 HA :: 4.246 HB2 :: 1.886 HB3 :: 1.986 HG2 :: 1.509 HG3 :: 1.632 HD2 :: 1.772 HD3 :: 1.772 HE2 :: 3.014 HE3 :: 3.014 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 :: 118.194 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.37 C 0.18 P 0.17 W 0.06 K 0.04 I 0.03 R 0.03 M 0.02 Q 0.02 E 0.02 H 0.01 C Shift Assignments>> C :: 176.858 CA :: 61.520 CB :: 32.840 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 :: 7.686 HA :: 3.892 HB2 :: 2.078 HB3 :: 2.078 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 :: 120.949 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.K16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 K 0.35 R 0.21 M 0.04 G 0.02 C Shift Assignments>> C :: 177.796 CA :: 57.366 CB :: 32.529 CG :: 24.407 CD :: 29.409 CE :: 42.605 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 :: 8.667 HA :: 4.449 HB2 :: 0.924(S) HB3 :: 1.530 HG2 :: 1.320 HG3 :: 1.365 HD2 :: 1.617 HD3 :: 1.704 HE2 :: 3.036 HE3 :: 3.092 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 :: 119.224 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 C 0.02 I 0.02 C Shift Assignments>> C :: 180.641 CA :: 54.627 CB :: 18.114 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.305 HA :: 4.164 HB1 :: 1.538 HB2 :: 1.538 HB3 :: 1.538 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.777 Ave N Shift Values>> N :: 123.23(3.7) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.29 K 0.15 Q 0.1 I 0.09 M 0.02 R 0.01 C Shift Assignments>> C :: 178.339 CA :: 58.173 CB :: 28.765 CG :: 35.594 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 :: 7.849 HA :: 4.695 HB2 :: 2.244 HB3 :: 2.361 HG2 :: 2.454 HG3 :: 2.454 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 :: 119.934 Ave N Shift Values>> N :: 120.68(3.68) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 C 0.02 C Shift Assignments>> C :: 178.206 CA :: 62.108 CB :: 59.839 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.785 HA :: 3.542 HB2 :: 3.020 HB3 :: 3.297 HG :: 6.435 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.685 Ave N Shift Values>> N :: 116.3(3.95) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.3 E 0.29 K 0.03 M 0.01 C Shift Assignments>> C :: 178.788 CA :: 59.701 CB :: 29.318 CG :: 36.996 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 :: 8.052 HA :: 3.988 HB2 :: 1.981 HB3 :: 2.191 HG2 :: 2.201 HG3 :: 2.566 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 :: 124.346 Ave N Shift Values>> N :: 120.68(3.68) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.44 G 0.06 C Shift Assignments>> C :: 179.458 CA :: 59.500 CB :: 30.412 CG :: 27.530 CD :: 43.030 CZ :: 160.022 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 :: 7.958 HA :: 4.093 HB2 :: 2.016 HB3 :: 2.177 HG2 :: 1.415 HG3 :: 1.756 HD2 :: 3.092 HD3 :: 3.432 HE :: 8.217 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.089 NE :: 83.558 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.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 176.842 CA :: 65.145 CB :: 38.195 CG1 :: 29.619 CG2 :: 17.801 CD1 :: 14.221 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 :: 8.277 HA :: 3.623 HB :: 1.738 HG12 :: 1.016 HG13 :: 1.752 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 HD11 :: 0.740 HD12 :: 0.740 HD13 :: 0.740 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 :: 119.893 Ave N Shift Values>> N :: 121.6(4.72) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 179.199 CA :: 54.519 CB :: 18.001 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.962 HA :: 4.071 HB1 :: 1.459 HB2 :: 1.459 HB3 :: 1.459 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.816 Ave N Shift Values>> N :: 123.23(3.7) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.15 D 0.11 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> C :: 177.324 CA :: 56.248 CB :: 42.193 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 :: 7.368 HA :: 4.401 HB2 :: 2.669 HB3 :: 2.717 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 :: 114.866 Ave N Shift Values>> N :: 120.73(4.2) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.46 G 0.03 C Shift Assignments>> C :: 176.266 CA :: 57.158 CB :: 31.477 CG :: 26.849 CD :: 42.799 CZ :: 159.504 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 :: 7.815 HA :: 3.922 HB2 :: 1.167 HB3 :: 1.489 HG2 :: 1.122 HG3 :: 1.184 HD2 :: 2.929 HD3 :: 3.009 HE :: 7.130 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 :: 116.868 NE :: 84.763 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.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.3 C 0.29 C Shift Assignments>> CA :: 54.304 CB :: 39.026 CD2 :: 132.591 CE2 :: 131.393 CZ :: 129.767 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 :: 8.658 HA :: 5.084 HB2 :: 2.727 HB3 :: 2.935 HD1 :: 7.185 HD2 :: 7.185 HE1 :: 7.248 HE2 :: 7.248 HZ :: 7.206 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 :: 116.737 Ave N Shift Values>> N :: 120.69(4.18) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 177.538 CA :: 64.394 CB :: 31.961 CG :: 27.331 CD :: 50.166 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 :: 4.503 HB2 :: 2.413 HB3 :: 1.901 HG2 :: 1.913 HG3 :: 2.008 HD2 :: 3.270 HD3 :: 3.587 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.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.28 C 0.21 C Shift Assignments>> C :: 174.678 CA :: 52.868 CB :: 38.331 CG :: 178.019 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 :: 8.537 HA :: 4.725 HB2 :: 2.933 HB3 :: 2.966 HD21 :: 7.615 HD22 :: 6.998 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 :: 114.596 ND2 :: 113.142 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.47 G 0.05 C Shift Assignments>> C :: 174.469 CA :: 52.948 CB :: 32.941 CG :: 27.467 CD :: 42.515 CZ :: 159.507 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 :: 7.580 HA :: 4.769 HB2 :: 0.958 HB3 :: 1.616 HG2 :: 1.383 HG3 :: 1.383 HD2 :: 2.493 HD3 :: 2.752 HE :: 7.244 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 :: 116.946 NE :: 83.717 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.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.25 A 0.22 C Shift Assignments>> CA :: 55.558 CB :: 38.805 CG1 :: 26.676 CG2 :: 17.009 CD1 :: 11.752 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.262 HA :: 4.098 HB :: 1.442 HG12 :: 0.875 HG13 :: 0.934 HG21 :: 0.236 HG22 :: 0.236 HG23 :: 0.236 HD11 :: 0.329 HD12 :: 0.329 HD13 :: 0.329 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 :: 121.854 Ave N Shift Values>> N :: 121.6(4.72) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 174.121 CA :: 61.705 CB :: 30.966 CG :: 26.815 CD :: 50.226 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 :: 4.856 HB2 :: 1.896 HB3 :: 1.434 HG2 :: 1.691 HG3 :: 2.445 HD2 :: 3.235 HD3 :: 3.429 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.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 174.181 CA :: 60.620 CB :: 35.645 CG1 :: 23.008 CG2 :: 22.020 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.096 HA :: 4.997 HB :: 1.900 HG11 :: 0.599 HG12 :: 0.599 HG13 :: 0.599 HG21 :: 0.705 HG22 :: 0.705 HG23 :: 0.705 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.197 Ave N Shift Values>> N :: 121.02(4.96) 1.I33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.86 A 0.12 C Shift Assignments>> C :: 174.991 CA :: 56.589 CB :: 35.908 CG1 :: 25.337 CG2 :: 16.810 CD1 :: 7.541 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 :: 8.775 HA :: 4.917 HB :: 1.456 HG12 :: -0.106(S) HG13 :: 0.493 HG21 :: 0.544 HG22 :: 0.544 HG23 :: 0.544 HD11 :: -0.811(S) HD12 :: -0.811(S) HD13 :: -0.811(S) 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 :: 127.157 Ave N Shift Values>> N :: 121.6(4.72) 1.C34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.15 Q 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.09 I 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 173.218 CA :: 57.121 CB :: 28.880 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.738 HA :: 5.559 HB2 :: 2.434 HB3 :: 3.163 HG :: 1.379(A) 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 :: 129.280 Ave N Shift Values>> N :: 119.95(4.79) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 C Shift Assignments>> C :: 174.190 CA :: 54.308 CB :: 35.281 CG :: 38.721 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 :: 8.531 HA :: 4.977 HB2 :: 2.071 HB3 :: 2.310 HG2 :: 2.346 HG3 :: 2.346 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 :: 124.130 Ave N Shift Values>> N :: 120.68(3.68) 1.K36 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.28 R 0.21 M 0.09 G 0.01 A 0.01 C Shift Assignments>> C :: 177.452 CA :: 56.374 CB :: 32.750 CG :: 22.780 CD :: 29.184 CE :: 42.322 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 :: 8.949 HA :: 3.056 HB2 :: 1.556 HB3 :: 1.649 HG2 :: 0.912 HG3 :: 1.528 HD2 :: 1.456 HD3 :: 1.767 HE2 :: 3.129 HE3 :: 3.129 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.562 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> C :: 178.375 CA :: 52.702 CB :: 18.673 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.561 HA :: 4.163 HB1 :: 1.335 HB2 :: 1.335 HB3 :: 1.335 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.494 Ave N Shift Values>> N :: 123.23(3.7) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.14 K 0.06 M 0.05 Q 0.03 C Shift Assignments>> C :: 177.516 CA :: 59.302 CB :: 30.154 CG :: 36.102 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 :: 8.648 HA :: 3.959 HB2 :: 1.976 HB3 :: 2.090 HG2 :: 2.224 HG3 :: 2.332 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.115 Ave N Shift Values>> N :: 120.68(3.68) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.33 R 0.26 M 0.02 C Shift Assignments>> C :: 176.244 CA :: 56.564 CB :: 31.484 CG :: 25.406 CD :: 28.992 CE :: 42.108 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 :: 8.494 HA :: 4.188 HB2 :: 1.933 HB3 :: 1.726 HG2 :: 1.376 HG3 :: 1.345 HD2 :: 1.583 HD3 :: 1.626 HE2 :: 2.931 HE3 :: 2.931 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.020 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.896 CA :: 57.985 CB :: 65.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.346 HA :: 4.535 HB2 :: 3.726 HB3 :: 4.076 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 :: 113.091 Ave N Shift Values>> N :: 116.3(3.95) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.28 C 0.13 L 0.09 F 0.08 Y 0.08 K 0.02 C Shift Assignments>> C :: 175.205 CA :: 53.549 CB :: 39.916 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.744 HA :: 4.782 HB2 :: 2.759 HB3 :: 2.759 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 :: 127.375 Ave N Shift Values>> N :: 120.73(4.2) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> CA :: 59.133 CB :: 40.534 CG1 :: 28.617 CG2 :: 18.006 CD1 :: 14.968 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.649 HA :: 4.661 HB :: 1.966 HG12 :: 1.455 HG13 :: 1.730 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 HD11 :: 1.004 HD12 :: 1.004 HD13 :: 1.004 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.943 Ave N Shift Values>> N :: 121.6(4.72) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.35 C Shift Assignments>> C :: 175.952 CA :: 63.829 CB :: 32.895 CG :: 28.034 CD :: 51.880 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 :: 4.414 HB2 :: 2.488 HB3 :: 1.810 HG2 :: 1.984 HG3 :: 2.066 HD2 :: 3.398 HD3 :: 4.004 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.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 M 0.17 I 0.03 K 0.02 Q 0.02 C Shift Assignments>> C :: 175.316 CA :: 56.400 CB :: 31.282 CG :: 36.524 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 :: 8.393 HA :: 4.298 HB2 :: 1.941 HB3 :: 2.112 HG2 :: 2.408 HG3 :: 2.408 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 :: 120.369 Ave N Shift Values>> N :: 120.68(3.68) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.786 CA :: 61.027 CB :: 40.509 CG1 :: 28.669 CG2 :: 16.568 CD1 :: 15.590 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 :: 8.067 HA :: 4.419 HB :: 1.892 HG12 :: 1.500 HG13 :: 1.444 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 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 :: 123.670 Ave N Shift Values>> N :: 121.6(4.72) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.15 C 0.14 Y 0.14 L 0.14 N 0.09 K 0.07 I 0.01 C Shift Assignments>> C :: 175.494 CA :: 55.467 CB :: 40.320 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 :: 8.468 HA :: 4.412 HB2 :: 2.765 HB3 :: 2.765 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 :: 123.340 Ave N Shift Values>> N :: 120.73(4.2) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.18 M 0.03 G 0.01 HN Overlap>> 1.L56 1.L56 C Shift Assignments>> CA :: 56.020 CB :: 34.644 CG :: 24.595 CD :: 29.503 CE :: 42.277 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 :: 7.319 HA :: 4.428 HB2 :: 1.612 HB3 :: 1.612 HG2 :: 0.655 HG3 :: 1.215 HD2 :: 1.378 HD3 :: 1.457 HE2 :: 2.579 HE3 :: 2.755 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 :: 121.295 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.42 R 0.1 K 0.01 C Shift Assignments>> C :: 173.546 CA :: 55.581 CB :: 32.992 CG :: 25.725 CD :: 44.992 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 :: 8.558 HA :: 5.271 HB2 :: 1.911 HB3 :: 2.071 HG2 :: 1.543 HG3 :: 1.857 HD2 :: 3.241 HD3 :: 3.400 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 :: 124.949 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.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.37 M 0.1 R 0.09 C Shift Assignments>> C :: 174.301 CA :: 55.042 CB :: 34.065 CG :: 24.251 CD :: 30.498 CE :: 41.445 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 :: 7.440 HA :: 5.030 HB2 :: 1.088 HB3 :: 1.122 HG2 :: 0.818 HG3 :: 1.120 HD2 :: 1.422 HD3 :: 1.592 HE2 :: 2.679 HE3 :: 2.679 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 :: 122.812 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Y 0.28 F 0.28 G 0.09 C Shift Assignments>> C :: 173.674 CA :: 57.192 CB :: 43.123 CD2 :: 132.585 CE2 :: 118.296 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 :: 9.590 HA :: 4.721 HB2 :: 2.661 HB3 :: 2.929 HD1 :: 7.030 HD2 :: 7.030 HE1 :: 6.606 HE2 :: 6.606 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 :: 124.842 Ave N Shift Values>> N :: 120.79(4.69) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.23 R 0.01 HN Overlap>> 1.F78 1.F78 C Shift Assignments>> C :: 176.050 CA :: 53.158 CB :: 41.155 CG :: 27.282 CD1 :: 24.666 CD2 :: 24.885 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 :: 8.901 HA :: 4.753 HB2 :: 0.825 HB3 :: 1.562 HG :: 1.285 HD11 :: 0.315 HD12 :: 0.315 HD13 :: 0.315 HD21 :: 0.396 HD22 :: 0.396 HD23 :: 0.396 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 :: 124.138 Ave N Shift Values>> N :: 121.98(4.07) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> CA :: 59.724 CB :: 33.605 CG1 :: 22.742 CG2 :: 21.764 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 :: 8.513 HA :: 3.948 HB :: 1.743 HG11 :: 0.659 HG12 :: 0.659 HG13 :: 0.659 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 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 :: 123.181 Ave N Shift Values>> N :: 121.02(4.96) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.41 C 0.07 I 0.05 W 0.01 C Shift Assignments>> C :: 176.607 CA :: 63.950 CB :: 32.163 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 :: 4.305 HB2 :: 2.409 HB3 :: 1.862 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.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.45 C 0.03 I 0.01 C Shift Assignments>> C :: 176.409 CA :: 54.742 CB :: 18.948 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.926 HA :: 3.720 HB1 :: 1.281 HB2 :: 1.281 HB3 :: 1.281 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.771 Ave N Shift Values>> N :: 123.23(3.7) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.29 C 0.12 L 0.08 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 175.823 CA :: 52.744 CB :: 39.861 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 :: 8.106 HA :: 4.621 HB2 :: 2.825 HB3 :: 2.624 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 :: 111.152 Ave N Shift Values>> N :: 120.73(4.2) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.26 R 0.16 G 0.11 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 177.459 CA :: 55.472 CB :: 43.593 CG :: 27.318 CD1 :: 26.012 CD2 :: 25.485 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 :: 7.295 HA :: 4.351 HB2 :: 1.429 HB3 :: 1.593 HG :: 2.071 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 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 :: 121.263 Ave N Shift Values>> N :: 121.98(4.07) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 176.538 CA :: 60.318 CB :: 71.303 CG2 :: 22.210 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 :: 8.476 HA :: 5.233 HB :: 4.776 HG1 :: 5.625 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 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 :: 114.222 Ave N Shift Values>> N :: 115.7(5.05) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.743 CA :: 66.797 CB :: 31.801 CG1 :: 21.469 CG2 :: 24.073 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 :: 8.806 HA :: 3.738 HB :: 2.324 HG11 :: 0.836 HG12 :: 0.836 HG13 :: 0.836 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.331 Ave N Shift Values>> N :: 121.02(4.96) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.22 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.924 CA :: 47.317 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.381 HA2 :: 3.934 HA3 :: 3.734 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.470 Ave N Shift Values>> N :: 109.91(4.29) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.33 Q 0.25 HN Overlap>> 1.F116 1.F116 C Shift Assignments>> C :: 178.605 CA :: 58.764 CB :: 29.129 CG :: 35.170 CD :: 180.130 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 :: 8.027 HA :: 4.166 HB2 :: 2.041 HB3 :: 2.511 HG2 :: 2.431 HG3 :: 2.431 HE21 :: 7.569 HE22 :: 6.865 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.492 NE2 :: 111.544 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.29 C 0.2 C Shift Assignments>> C :: 176.690 CA :: 61.502 CB :: 39.155 CD1 :: 130.831 CE1 :: 130.569 CZ :: 129.070 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 :: 8.522 HA :: 4.291 HB2 :: 3.431 HB3 :: 3.078 HD1 :: 6.951 HD2 :: 6.951 HE1 :: 6.784 HE2 :: 6.784 HZ :: 6.477 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.595 Ave N Shift Values>> N :: 120.69(4.18) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 176.872 CA :: 67.040 CB :: 31.119 CG1 :: 22.046 CG2 :: 24.031 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 :: 8.705 HA :: 3.070 HB :: 2.153 HG11 :: 0.752 HG12 :: 0.752 HG13 :: 0.752 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.720 Ave N Shift Values>> N :: 121.02(4.96) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 C 0.35 F 0.21 C Shift Assignments>> C :: 177.325 CA :: 61.685 CB :: 37.906 CD2 :: 133.190 CE2 :: 118.117 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 :: 7.373 HA :: 3.987 HB2 :: 3.237 HB3 :: 3.117 HD1 :: 7.119 HD2 :: 7.119 HE1 :: 6.786 HE2 :: 6.786 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.462 Ave N Shift Values>> N :: 120.79(4.69) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.326 CA :: 66.615 CB :: 31.157 CG1 :: 20.765 CG2 :: 23.011 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 :: 7.376 HA :: 3.342 HB :: 2.132 HG11 :: 0.566 HG12 :: 0.566 HG13 :: 0.566 HG21 :: 1.088 HG22 :: 1.088 HG23 :: 1.088 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 :: 119.137 Ave N Shift Values>> N :: 121.02(4.96) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 177.653 CA :: 63.682 CB :: 36.150 CG1 :: 26.342 CG2 :: 16.944 CD1 :: 11.224 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.366 HA :: 3.279 HB :: 1.467 HG12 :: 0.464 HG13 :: 0.567 HG21 :: -0.001 HG22 :: -0.001 HG23 :: -0.001 HD11 :: -0.018 HD12 :: -0.018 HD13 :: -0.018 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 :: 118.858 Ave N Shift Values>> N :: 121.6(4.72) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.39 G 0.09 HN Overlap>> 1.E113 1.E113 C Shift Assignments>> C :: 178.284 CA :: 60.078 CB :: 30.022 CG :: 28.517 CD :: 43.251 CZ :: 159.277 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 :: 8.463 HA :: 3.397 HB2 :: 1.687 HB3 :: 1.763 HG2 :: 1.333 HG3 :: 1.545 HD2 :: 3.056 HD3 :: 3.056 HE :: 7.429 HH11 :: 6.561 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.729 NE :: 81.795 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.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.2 M 0.03 C Shift Assignments>> C :: 178.989 CA :: 58.347 CB :: 31.938 CG :: 24.544 CD :: 29.046 CE :: 41.841 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 :: 7.536 HA :: 3.951 HB2 :: 1.673 HB3 :: 1.713 HG2 :: 1.228 HG3 :: 1.315 HD2 :: 1.535 HD3 :: 1.535 HE2 :: 2.806 HE3 :: 2.873 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 :: 116.643 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.43 G 0.05 C Shift Assignments>> C :: 178.122 CA :: 58.182 CB :: 30.273 CG :: 27.517 CD :: 42.996 CZ :: 159.684 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 :: 7.783 HA :: 4.104 HB2 :: 1.859 HB3 :: 2.006 HG2 :: 1.699 HG3 :: 1.821 HD2 :: 3.180 HD3 :: 3.215 HE :: 8.245 HH11 :: 6.958 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.051 NE :: 85.107 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.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 174.568 CA :: 61.502 CB :: 38.643 CG1 :: 26.263 CG2 :: 17.682 CD1 :: 14.695 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.675 HA :: 4.223 HB :: 1.846 HG12 :: 1.151 HG13 :: 1.272 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.532 HD12 :: 0.532 HD13 :: 0.532 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 :: 112.456 Ave N Shift Values>> N :: 121.6(4.72) 1.M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.36 A 0.13 C Shift Assignments>> C :: 175.482 CA :: 55.811 CB :: 29.392 CG :: 32.272 CE :: 16.905 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 :: 7.805 HA :: 3.982 HB2 :: 2.109 HB3 :: 2.206 HG2 :: 2.468 HG3 :: 2.468 HE1 :: 2.080 HE2 :: 2.080 HE3 :: 2.080 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 :: 118.509 Ave N Shift Values>> N :: 120.1(3.88) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.31 C 0.16 R 0.03 C Shift Assignments>> CA :: 52.560 CB :: 44.045 CG :: 26.504 CD1 :: 25.398 CD2 :: 25.892 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 :: 7.493 HA :: 4.603 HB2 :: 1.572 HB3 :: 1.223 HG :: 1.596 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 121.952 Ave N Shift Values>> N :: 121.98(4.07) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 62.124 CB :: 31.307 CG :: 27.744 CD :: 51.294 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 :: 4.678 HB2 :: 2.482 HB3 :: 2.030 HG2 :: 2.027 HG3 :: 2.116 HD2 :: 3.511 HD3 :: 4.112 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.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.052 CA :: 64.924 CB :: 32.049 CG :: 27.505 CD :: 50.676 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.123 HB2 :: 2.316 HB3 :: 1.934 HG2 :: 2.051 HG3 :: 2.105 HD2 :: 3.786 HD3 :: 3.786 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.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 K 0.12 I 0.12 Q 0.06 C Shift Assignments>> C :: 176.459 CA :: 57.774 CB :: 28.321 CG :: 36.100 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.065 HA :: 4.181 HB2 :: 2.032 HB3 :: 2.073 HG2 :: 2.207 HG3 :: 2.313 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 :: 115.091 Ave N Shift Values>> N :: 120.68(3.68) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.33 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 174.789 CA :: 54.789 CB :: 32.882 CG :: 25.248 CD :: 28.848 CE :: 42.252 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 :: 7.797 HA :: 4.520 HB2 :: 1.774 HB3 :: 1.945 HG2 :: 1.409 HG3 :: 1.466 HD2 :: 1.731 HD3 :: 1.731 HE2 :: 3.052 HE3 :: 3.052 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 :: 121.755 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.18 L 0.08 C 0.06 C Shift Assignments>> C :: 175.710 CA :: 52.226 CB :: 20.956 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.410 HA :: 4.072 HB1 :: 1.229 HB2 :: 1.229 HB3 :: 1.229 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.848 Ave N Shift Values>> N :: 123.23(3.7) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 HN Overlap>> 1.E98 1.E98 C Shift Assignments>> C :: 172.379 CA :: 59.699 CB :: 41.218 CG1 :: 27.946 CG2 :: 16.600 CD1 :: 13.932 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.193 HA :: 4.593 HB :: 1.408 HG12 :: 1.404 HG13 :: 0.826 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 HD11 :: 0.535 HD12 :: 0.535 HD13 :: 0.535 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 :: 114.298 Ave N Shift Values>> N :: 121.6(4.72) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.35 C 0.23 G 0.01 HN Overlap>> 1.L51 1.L51 C Shift Assignments>> C :: 174.359 CA :: 56.596 CB :: 42.370 CD1 :: 132.236 CE1 :: 130.987 CZ :: 129.623 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 :: 8.931 HA :: 4.556 HB2 :: 2.479 HB3 :: 2.602 HD1 :: 6.965 HD2 :: 6.965 HE1 :: 7.209 HE2 :: 7.209 HZ :: 7.236 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 :: 124.094 Ave N Shift Values>> N :: 120.69(4.18) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.44 A 0.02 C Shift Assignments>> C :: 173.334 CA :: 58.130 CB :: 39.360 CG1 :: 26.877 CG2 :: 17.387 CD1 :: 12.874 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 :: 8.025 HA :: 5.233 HB :: 1.823 HG12 :: 1.373 HG13 :: 1.200 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.724 Ave N Shift Values>> N :: 121.6(4.72) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.33 C 0.23 G 0.04 C Shift Assignments>> C :: 176.270 CA :: 55.948 CB :: 42.763 CD1 :: 131.603 CE1 :: 131.484 CZ :: 129.329 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 :: 9.210 HA :: 5.365 HB2 :: 2.929 HB3 :: 2.929 HD1 :: 6.944 HD2 :: 6.944 HE1 :: 7.194 HE2 :: 7.194 HZ :: 7.058 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.084 Ave N Shift Values>> N :: 120.69(4.18) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.699 CA :: 60.484 CB :: 34.263 CG1 :: 21.487 CG2 :: 20.680 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 :: 8.832 HA :: 4.520 HB :: 1.568 HG11 :: 0.672 HG12 :: 0.672 HG13 :: 0.672 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.974 Ave N Shift Values>> N :: 121.02(4.96) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 N 0.31 D 0.16 E 0.05 C Shift Assignments>> C :: 174.036 CA :: 55.231 CB :: 37.408 CG :: 177.960 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 :: 9.689 HA :: 4.339 HB2 :: 2.811 HB3 :: 3.039 HD21 :: 8.814 HD22 :: 7.136 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 :: 127.615 ND2 :: 116.147 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 Y 0.18 C 0.17 F 0.17 N 0.12 L 0.08 I 0.02 K 0.01 E 0.01 C Shift Assignments>> C :: 174.560 CA :: 55.638 CB :: 39.564 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 :: 8.772 HA :: 4.135 HB2 :: 2.677 HB3 :: 2.832 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 :: 112.699 Ave N Shift Values>> N :: 120.73(4.2) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 172.200 CA :: 60.868 CB :: 72.206 CG2 :: 21.261 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 :: 8.080 HA :: 4.715 HB :: 4.124 HG21 :: 1.217 HG22 :: 1.217 HG23 :: 1.217 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 :: 112.567 Ave N Shift Values>> N :: 115.7(5.05) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.18 G 0.08 R 0.05 C Shift Assignments>> CA :: 51.927 CB :: 42.779 CG :: 27.144 CD1 :: 25.420 CD2 :: 25.514 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 :: 8.520 HA :: 5.127 HB2 :: 1.679 HB3 :: 1.478 HG :: 1.372 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.626 HD22 :: 0.626 HD23 :: 0.626 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 :: 125.810 Ave N Shift Values>> N :: 121.98(4.07) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> CA :: 60.910 CB :: 30.852 CG :: 26.849 CD :: 50.788 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 :: 4.835 HB2 :: 2.203 HB3 :: 1.847 HG2 :: 1.682 HG3 :: 1.924 HD2 :: 3.949 HD3 :: 4.248 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.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.830 CA :: 62.424 CB :: 31.910 CG :: 27.747 CD :: 50.564 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 :: 4.577 HB2 :: 2.455 HB3 :: 2.003 HG2 :: 2.121 HG3 :: 2.176 HD2 :: 3.535 HD3 :: 3.948 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.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.702 CA :: 65.079 CB :: 68.818 CG2 :: 22.376 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 :: 8.291 HA :: 3.802 HB :: 4.165 HG21 :: 1.326 HG22 :: 1.326 HG23 :: 1.326 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 :: 114.642 Ave N Shift Values>> N :: 115.7(5.05) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 C Shift Assignments>> C :: 177.690 CA :: 52.118 CB :: 19.334 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.031 HA :: 4.420 HB1 :: 1.439 HB2 :: 1.439 HB3 :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.706 Ave N Shift Values>> N :: 123.23(3.7) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 C Shift Assignments>> C :: 176.520 CA :: 52.454 CB :: 19.301 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.465 HA :: 4.179 HB1 :: 1.445 HB2 :: 1.445 HB3 :: 1.445 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.388 Ave N Shift Values>> N :: 123.23(3.7) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.26 R 0.15 G 0.03 A 0.02 C Shift Assignments>> C :: 179.555 CA :: 54.578 CB :: 42.689 CG :: 27.683 CD1 :: 23.264 CD2 :: 25.336 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 :: 8.458 HA :: 4.490 HB2 :: 1.772 HB3 :: 1.717 HG :: 1.820 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.962 HD22 :: 0.962 HD23 :: 0.962 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 :: 119.307 Ave N Shift Values>> N :: 121.98(4.07) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.34 A 0.02 I 0.01 C Shift Assignments>> C :: 178.860 CA :: 56.938 CB :: 29.372 CG :: 32.789 CE :: 15.409 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 :: 9.203 HA :: 4.231 HB2 :: 1.473 HB3 :: 2.045 HG2 :: 2.220 HG3 :: 2.312 HE1 :: 1.192 HE2 :: 1.192 HE3 :: 1.192 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 :: 121.586 Ave N Shift Values>> N :: 120.1(3.88) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.318 CA :: 60.871 CB :: 61.575 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.717 HA :: 3.978 HB2 :: 3.962 HB3 :: 3.962 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.826 Ave N Shift Values>> N :: 116.3(3.95) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 C 0.03 I 0.02 C Shift Assignments>> C :: 180.789 CA :: 54.841 CB :: 18.603 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.058 HA :: 4.357 HB1 :: 1.659 HB2 :: 1.659 HB3 :: 1.659 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.735 Ave N Shift Values>> N :: 123.23(3.7) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> 2.V22 2.V22 C Shift Assignments>> C :: 178.326 CA :: 62.755 CB :: 36.410 CG1 :: 27.013 CG2 :: 19.120 CD1 :: 10.983 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.872 HA :: 4.063 HB :: 2.167 HG12 :: 1.376 HG13 :: 1.642 HG21 :: 0.994 HG22 :: 0.994 HG23 :: 0.994 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.720 Ave N Shift Values>> N :: 121.6(4.72) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 176.022 CA :: 62.187 CB :: 39.093 CD1 :: 133.483 CE1 :: 118.134 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 :: 8.841 HA :: 4.007 HB2 :: 3.017 HB3 :: 3.160 HD1 :: 7.037 HD2 :: 7.037 HE1 :: 6.864 HE2 :: 6.864 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 :: 120.697 Ave N Shift Values>> N :: 120.79(4.69) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.41 E 0.13 C Shift Assignments>> C :: 177.250 CA :: 58.719 CB :: 28.286 CG :: 33.504 CD :: 180.126 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 :: 7.757 HA :: 3.778 HB2 :: 2.178 HB3 :: 2.219 HG2 :: 2.577 HG3 :: 2.577 HE21 :: 7.571 HE22 :: 6.934 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 :: 114.982 NE2 :: 112.043 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 E 0.31 M 0.19 Q 0.06 K 0.03 I 0.03 HN Overlap>> 1.I77 1.I77 C Shift Assignments>> C :: 178.140 CA :: 57.886 CB :: 31.589 CG :: 35.644 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 :: 7.117 HA :: 4.099 HB2 :: 1.582 HB3 :: 1.813 HG2 :: 1.532(S) HG3 :: 1.997 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 :: 114.340 Ave N Shift Values>> N :: 120.68(3.68) 1.H99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 W 0.28 H 0.27 C Shift Assignments>> C :: 175.856 CA :: 56.738 CB :: 32.930 CD2 :: 119.361 CE1 :: 138.983 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.247 HA :: 4.829 HB2 :: 2.800 HB3 :: 3.232 HD2 :: 7.028 HE1 :: 7.868 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.377 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.26 K 0.21 M 0.1 G 0.01 HN Overlap>> 2.I33 2.D27 2.I33 2.D27 C Shift Assignments>> C :: 174.832 CA :: 57.693 CB :: 31.703 CG :: 22.528 CD :: 29.340 CE :: 42.255 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 :: 8.065 HA :: 3.994 HB2 :: 1.202 HB3 :: 1.202 HG2 :: 1.004 HG3 :: 1.217 HD2 :: 0.897 HD3 :: 1.230 HE2 :: 2.745 HE3 :: 2.782 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 :: 120.905 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.31 R 0.22 D 0.12 C 0.11 G 0.08 K 0.05 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 177.692 CA :: 54.030 CB :: 43.429 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.027 HA :: 4.765 HB2 :: 3.183 HB3 :: 3.891(S) 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 :: 124.188 Ave N Shift Values>> N :: 120.73(4.2) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.2 G 0.01 M 0.01 C Shift Assignments>> C :: 178.053 CA :: 59.482 CB :: 32.821 CG :: 25.607 CD :: 29.069 CE :: 42.123 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 :: 8.678 HA :: 4.239 HB2 :: 2.053 HB3 :: 2.053 HG2 :: 1.652 HG3 :: 1.709 HD2 :: 1.711 HD3 :: 1.711 HE2 :: 2.973 HE3 :: 2.973 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 :: 125.898 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.25 N 0.19 C 0.14 Y 0.12 F 0.12 L 0.1 K 0.02 I 0.01 C Shift Assignments>> C :: 176.833 CA :: 54.666 CB :: 39.848 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 :: 10.276(S) HA :: 4.127 HB2 :: 2.619 HB3 :: 2.817 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 :: 119.326 Ave N Shift Values>> N :: 120.73(4.2) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.655 CA :: 45.319 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.173 HA2 :: 3.509 HA3 :: 4.415 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.059 Ave N Shift Values>> N :: 109.91(4.29) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 C 0.3 Y 0.28 C Shift Assignments>> C :: 174.830 CA :: 59.377 CB :: 39.938 CD1 :: 132.618 CE1 :: 130.543 CZ :: 127.239 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 :: 9.600 HA :: 4.682 HB2 :: 2.090 HB3 :: 3.541 HD1 :: 7.056 HD2 :: 7.056 HE1 :: 7.200 HE2 :: 7.200 HZ :: 6.934 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.781 Ave N Shift Values>> N :: 120.69(4.18) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.31 C 0.17 R 0.02 HN Overlap>> 1.I22 2.D21 1.I22 2.D21 C Shift Assignments>> C :: 173.947 CA :: 53.463 CB :: 45.066 CG :: 27.317 CD1 :: 26.136 CD2 :: 24.301 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 :: 8.376 HA :: 4.897 HB2 :: 1.436 HB3 :: 2.104 HG :: 1.440 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.929 Ave N Shift Values>> N :: 121.98(4.07) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 176.099 CA :: 58.893 CB :: 38.140 CD1 :: 132.786 CE1 :: 118.838 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 :: 9.124 HA :: 4.992 HB2 :: 2.927 HB3 :: 3.111 HD1 :: 7.315 HD2 :: 7.315 HE1 :: 7.286 HE2 :: 7.286 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.637 Ave N Shift Values>> N :: 120.79(4.69) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 C Shift Assignments>> C :: 175.722 CA :: 59.587 CB :: 34.787 CG1 :: 20.911 CG2 :: 22.171 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 :: 9.560 HA :: 5.135 HB :: 2.252 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 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 :: 121.630 Ave N Shift Values>> N :: 121.02(4.96) 1.T109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.65 C 0.34 C Shift Assignments>> C :: 174.158 CA :: 59.869 CB :: 72.268 CG2 :: 22.350 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.061 HA :: 6.155(S) HB :: 4.045 HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.845 Ave N Shift Values>> N :: 115.7(5.05) 1.Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.42 G 0.03 C Shift Assignments>> C :: 173.366 CA :: 54.655 CB :: 42.250 CD1 :: 132.976 CE1 :: 117.460 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 :: 8.461 HA :: 6.332 HB2 :: 2.596 HB3 :: 2.917 HD1 :: 6.833 HD2 :: 6.833 HE1 :: 6.632 HE2 :: 6.632 HH :: 9.706 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 :: 119.706 Ave N Shift Values>> N :: 120.79(4.69) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 173.692 CA :: 56.044 CB :: 66.177 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.089 HA :: 4.745 HB2 :: 3.851 HB3 :: 3.978 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.907 Ave N Shift Values>> N :: 116.3(3.95) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.331 CA :: 45.341 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.443 HA2 :: 3.859 HA3 :: 4.846 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.054 Ave N Shift Values>> N :: 109.91(4.29) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.24 E 0.22 Q 0.01 HN Overlap>> 1.R66 1.R66 C Shift Assignments>> C :: 174.538 CA :: 55.642 CB :: 32.930 CG :: 36.455 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 :: 8.413 HA :: 4.660 HB2 :: 1.978 HB3 :: 2.054 HG2 :: 2.297 HG3 :: 2.191 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 :: 118.801 Ave N Shift Values>> N :: 120.68(3.68) 1.N114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.5 C 0.28 Y 0.04 M 0.04 E 0.04 D 0.03 F 0.02 K 0.01 C Shift Assignments>> C :: 175.011 CA :: 51.910 CB :: 36.865 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 :: 8.207 HA :: 4.187 HB2 :: 1.647(S) HB3 :: 1.921 HD21 :: 7.001 HD22 :: 6.540 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.152 ND2 :: 109.422 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T115 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 :: 173.575 CA :: 61.149 CB :: 69.859 CG2 :: 21.291 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 :: 7.411 HA :: 4.190 HB :: 3.959 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 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 :: 112.887 Ave N Shift Values>> N :: 115.7(5.05) 1.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.36 C 0.26 HN Overlap>> 1.Q60 1.Q60 C Shift Assignments>> C :: 175.078 CA :: 57.681 CB :: 39.569 CD1 :: 131.558 CE1 :: 131.319 CZ :: 129.552 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 :: 8.021 HA :: 4.451 HB2 :: 3.038 HB3 :: 2.776 HD1 :: 6.969 HD2 :: 6.969 HE1 :: 7.076 HE2 :: 7.076 HZ :: 7.081 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.474 Ave N Shift Values>> N :: 120.69(4.18) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> CA :: 46.190 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.712 HA2 :: 3.659 HA3 :: 3.659 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.271 Ave N Shift Values>> N :: 109.91(4.29) 2.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.37 L 0.27 G 0.08 C 0.08 D 0.04 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> CA :: 43.440 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.977 HA3 :: 3.977 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 2.P2 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 :: 176.564 CA :: 63.064 CB :: 32.327 CG :: 26.973 CD :: 49.652 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 :: 4.457 HB2 :: 1.852 HB3 :: 2.262 HG2 :: 1.933 HG3 :: 2.003 HD2 :: 3.549 HD3 :: 3.568 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) 2.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.28 C Shift Assignments>> CA :: 56.012 CB :: 30.329 CD2 :: 119.930 CE1 :: 137.896 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.536 HA :: 4.655 HB2 :: 3.109 HB3 :: 3.159 HD2 :: 7.105 HE1 :: 8.079 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.871 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 2.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.38 A 0.15 HN Overlap>> 2.D31 2.I5 2.D31 2.I5 C Shift Assignments>> C :: 175.825 CA :: 55.390 CB :: 33.136 CG :: 31.901 CE :: 17.021 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 :: 8.344 HA :: 4.507 HB2 :: 1.975 HB3 :: 2.035 HG2 :: 2.471 HG3 :: 2.530 HE1 :: 2.074 HE2 :: 2.074 HE3 :: 2.074 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 :: 122.524 Ave N Shift Values>> N :: 120.1(3.88) 2.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 2.D31 2.D31 2.M4 2.M4 C Shift Assignments>> C :: 176.153 CA :: 61.155 CB :: 38.811 CG1 :: 27.274 CG2 :: 17.600 CD1 :: 12.995 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 :: 8.304 HA :: 4.216 HB :: 1.877 HG12 :: 1.186 HG13 :: 1.473 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.607 Ave N Shift Values>> N :: 121.6(4.72) 2.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.979 CA :: 58.465 CB :: 63.954 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.442 HA :: 4.457 HB2 :: 3.887 HB3 :: 3.887 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.153 Ave N Shift Values>> N :: 116.3(3.95) 2.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.088 CA :: 45.491 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.468 HA2 :: 3.978 HA3 :: 3.978 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.866 Ave N Shift Values>> N :: 109.91(4.29) 2.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.27 R 0.08 G 0.03 A 0.01 C Shift Assignments>> C :: 177.404 CA :: 55.254 CB :: 42.665 CG :: 26.997 CD1 :: 23.621 CD2 :: 24.960 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 :: 8.057 HA :: 4.384 HB2 :: 1.608 HB3 :: 1.608 HG :: 1.606 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 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 :: 121.311 Ave N Shift Values>> N :: 121.98(4.07) 2.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.472 CA :: 58.482 CB :: 63.719 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.301 HA :: 4.474 HB2 :: 3.853 HB3 :: 3.853 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 :: 116.752 Ave N Shift Values>> N :: 116.3(3.95) 2.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 176.077 CA :: 62.519 CB :: 32.778 CG1 :: 21.195 CG2 :: 20.602 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 :: 8.082 HA :: 4.130 HB :: 2.080 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 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 :: 121.969 Ave N Shift Values>> N :: 121.02(4.96) 2.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.3 C Shift Assignments>> C :: 176.140 CA :: 61.155 CB :: 38.482 CG1 :: 27.465 CG2 :: 17.526 CD1 :: 12.743 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 :: 8.130 HA :: 4.149 HB :: 1.843 HG12 :: 1.202 HG13 :: 1.484 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 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 :: 124.453 Ave N Shift Values>> N :: 121.6(4.72) 2.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.03 C Shift Assignments>> C :: 176.411 CA :: 56.557 CB :: 33.135 CG :: 24.837 CD :: 29.185 CE :: 42.137 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 :: 8.359 HA :: 4.283 HB2 :: 1.753 HB3 :: 1.821 HG2 :: 1.374 HG3 :: 1.443 HD2 :: 1.671 HD3 :: 1.671 HE2 :: 2.981 HE3 :: 2.981 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 :: 125.812 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 C 0.37 E 0.22 C Shift Assignments>> C :: 176.080 CA :: 56.187 CB :: 29.652 CG :: 33.931 CD :: 180.299 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 :: 8.411 HA :: 4.302 HB2 :: 1.985 HB3 :: 2.088 HG2 :: 2.361 HG3 :: 2.361 HE21 :: 6.873 HE22 :: 7.556 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.878 NE2 :: 112.352 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.1 K 0.08 I 0.05 Q 0.05 HN Overlap>> 1.M2 1.M2 C Shift Assignments>> C :: 176.712 CA :: 56.879 CB :: 30.247 CG :: 36.222 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 :: 8.466 HA :: 4.305 HB2 :: 1.953 HB3 :: 2.013 HG2 :: 2.240 HG3 :: 2.285 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 :: 122.374 Ave N Shift Values>> N :: 120.68(3.68) 2.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 176.324 CA :: 62.800 CB :: 32.741 CG1 :: 20.832 CG2 :: 21.278 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 :: 8.119 HA :: 4.049 HB :: 2.081 HG11 :: 0.938 HG12 :: 0.938 HG13 :: 0.938 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.329 Ave N Shift Values>> N :: 121.02(4.96) 2.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.06 Q 0.03 C Shift Assignments>> C :: 176.450 CA :: 56.996 CB :: 30.273 CG :: 36.417 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 :: 8.391 HA :: 4.230 HB2 :: 1.952 HB3 :: 2.037 HG2 :: 2.222 HG3 :: 2.276 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 :: 123.835 Ave N Shift Values>> N :: 120.68(3.68) 2.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.41 G 0.08 HN Overlap>> 2.E24 2.E24 C Shift Assignments>> C :: 176.228 CA :: 56.218 CB :: 30.827 CG :: 27.237 CD :: 43.398 CZ :: 159.641 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 :: 8.255 HA :: 4.320 HB2 :: 1.765 HB3 :: 1.848 HG2 :: 1.576 HG3 :: 1.632 HD2 :: 3.168 HD3 :: 3.168 HE :: 7.287 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.915 NE :: 84.706 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.08 G 0.02 A 0.01 C Shift Assignments>> C :: 177.738 CA :: 55.245 CB :: 42.358 CG :: 27.004 CD1 :: 23.497 CD2 :: 25.249 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 :: 8.267 HA :: 4.330 HB2 :: 1.528 HB3 :: 1.679 HG :: 1.619 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 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 :: 123.052 Ave N Shift Values>> N :: 121.98(4.07) 2.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.926 CA :: 45.395 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.346 HA2 :: 3.948 HA3 :: 3.948 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.092 Ave N Shift Values>> N :: 109.91(4.29) 2.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.3 C 0.19 C Shift Assignments>> C :: 174.953 CA :: 53.490 CB :: 39.112 CG :: 176.928 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 :: 8.314 HA :: 4.698 HB2 :: 2.726 HB3 :: 2.820 HD21 :: 6.892 HD22 :: 7.582 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.277 ND2 :: 112.742 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 175.972 CA :: 54.363 CB :: 41.166 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 :: 8.421 HA :: 4.586 HB2 :: 2.602 HB3 :: 2.636 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 :: 119.904 Ave N Shift Values>> N :: 120.73(4.2) 2.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 HN Overlap>> 1.I95 1.I95 C Shift Assignments>> C :: 175.551 CA :: 62.255 CB :: 32.818 CG1 :: 21.414 CG2 :: 20.564 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 :: 7.882 HA :: 4.035 HB :: 2.009 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.639 Ave N Shift Values>> N :: 121.02(4.96) 2.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.36 C 0.27 C Shift Assignments>> C :: 175.634 CA :: 57.318 CB :: 39.558 CD1 :: 131.770 CE1 :: 131.434 CZ :: 129.649 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 :: 8.223 HA :: 4.618 HB2 :: 2.901 HB3 :: 2.967 HD1 :: 7.194 HD2 :: 7.194 HE1 :: 7.229 HE2 :: 7.229 HZ :: 7.115 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.033 Ave N Shift Values>> N :: 120.69(4.18) 2.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.12 K 0.06 Q 0.04 I 0.04 HN Overlap>> 2.R17 2.R17 C Shift Assignments>> C :: 175.851 CA :: 56.767 CB :: 30.511 CG :: 36.215 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 :: 8.273 HA :: 4.267 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 2.163 HG3 :: 2.163 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.922 Ave N Shift Values>> N :: 120.68(3.68) 2.W25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.47 H 0.03 C Shift Assignments>> C :: 176.040 CA :: 56.697 CB :: 32.374 CD1 :: 127.632 CE3 :: 121.316 CZ2 :: 114.764 CZ3 :: 121.411 CH2 :: 124.074 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 :: 7.850 HA :: 4.680 HB2 :: 2.952 HB3 :: 3.184 HD1 :: 7.267 HE1 :: 10.396 HE3 :: 7.556 HZ2 :: 7.338 HZ3 :: 7.043 HH2 :: 7.011 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.736 NE1 :: 130.565 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 2.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.11 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> C :: 175.641 CA :: 57.093 CB :: 30.434 CG :: 36.209 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 :: 8.027 HA :: 4.151 HB2 :: 1.752 HB3 :: 1.823 HG2 :: 1.964 HG3 :: 1.999 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 :: 122.552 Ave N Shift Values>> N :: 120.68(3.68) 2.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.23 K 0.15 C 0.1 R 0.08 F 0.06 N 0.05 Y 0.05 HN Overlap>> 1.K100 2.D28 2.I33 1.K100 2.D28 2.I33 C Shift Assignments>> C :: 175.769 CA :: 54.152 CB :: 41.861 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 :: 8.141 HA :: 4.628 HB2 :: 2.550 HB3 :: 2.731 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.965 Ave N Shift Values>> N :: 120.73(4.2) 2.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.21 K 0.15 C 0.1 F 0.08 Y 0.06 N 0.06 R 0.05 HN Overlap>> 2.D27 2.D27 C Shift Assignments>> C :: 176.588 CA :: 54.630 CB :: 41.514 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 :: 8.241 HA :: 4.602 HB2 :: 2.655 HB3 :: 2.655 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.962 Ave N Shift Values>> N :: 120.73(4.2) 2.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.05 Q 0.03 C Shift Assignments>> C :: 176.461 CA :: 56.767 CB :: 30.248 CG :: 36.440 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 :: 8.519 HA :: 4.305 HB2 :: 1.965 HB3 :: 2.115 HG2 :: 2.230 HG3 :: 2.285 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 :: 121.292 Ave N Shift Values>> N :: 120.68(3.68) 2.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.341 CA :: 58.514 CB :: 63.953 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.323 HA :: 4.423 HB2 :: 3.846 HB3 :: 3.917 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 :: 116.111 Ave N Shift Values>> N :: 116.3(3.95) 2.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.14 C 0.1 F 0.08 N 0.07 Y 0.06 R 0.04 HN Overlap>> 2.I5 2.M4 2.I5 2.M4 C Shift Assignments>> C :: 176.004 CA :: 54.410 CB :: 41.348 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.278 HA :: 4.617 HB2 :: 2.628 HB3 :: 2.727 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 :: 122.546 Ave N Shift Values>> N :: 120.73(4.2) 2.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.1 K 0.06 I 0.06 Q 0.04 C Shift Assignments>> C :: 176.322 CA :: 57.273 CB :: 30.493 CG :: 36.276 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 :: 8.217 HA :: 4.250 HB2 :: 1.953 HB3 :: 2.055 HG2 :: 2.230 HG3 :: 2.319 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 :: 120.743 Ave N Shift Values>> N :: 120.68(3.68) 2.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 HN Overlap>> 1.K100 1.K100 2.D27 2.D27 C Shift Assignments>> C :: 173.873 CA :: 60.199 CB :: 37.477 CG1 :: 26.808 CG2 :: 17.014 CD1 :: 13.088 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 :: 8.073 HA :: 3.975 HB :: 1.550 HG12 :: 0.970 HG13 :: 1.100 HG21 :: 0.523 HG22 :: 0.523 HG23 :: 0.523 HD11 :: 0.552 HD12 :: 0.552 HD13 :: 0.552 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 :: 120.905 Ave N Shift Values>> N :: 121.6(4.72) 2.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.27 L 0.14 C 0.07 V 0.01 C Shift Assignments>> CA :: 53.488 CB :: 21.059 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.726 HA :: 4.242 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.760 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 140 #Clerical: 0 #Suspicious: 10 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 151 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 150 #Suspicious: 1 C Shift Results: #Consistent: 681 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1098 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 1 N Shift Results: #Consistent: 154 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K7 HE2 = 2.086(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.4430e-05 1.E9 HB2 = 1.300(S), Expected = 2.04, Std = 0.2200, ChiSquare = 7.6923e-04 1.K16 HB2 = 0.924(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.3221e-04 1.I33 HG12 = -0.106(S), Expected = 1.30, Std = 0.4000, ChiSquare = 4.3975e-04 1.I33 HD11 = -0.811(S), Expected = 0.70, Std = 0.3000, ChiSquare = 4.7371e-07 1.I33 HD12 = -0.811(S), Expected = 0.70, Std = 0.3000, ChiSquare = 4.7371e-07 1.I33 HD13 = -0.811(S), Expected = 0.70, Std = 0.3000, ChiSquare = 4.7371e-07 1.C34 HG = 1.379(A), Expected = 1.66, Std = 0.4800, ChiSquare = 5.5827e-01 1.K36 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K36 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.E98 HG2 = 1.532(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.1159e-04 1.D101 HB3 = 3.891(S), Expected = 2.70, Std = 0.2900, ChiSquare = 4.0101e-05 1.D103 H = 10.276(S), Expected = 8.33, Std = 0.5700, ChiSquare = 6.4008e-04 1.T109 HA = 6.155(S), Expected = 4.48, Std = 0.5000, ChiSquare = 8.0812e-04 1.N114 HB2 = 1.647(S), Expected = 2.80, Std = 0.3400, ChiSquare = 6.9593e-04