Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.648 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.847 HA3 :: 3.847 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.072 CA :: 58.449 CB :: 63.637 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) 1.G4 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 :: 174.605 CA :: 45.366 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.447 HA2 :: 3.990 HA3 :: 3.990 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.115 Ave N Shift Values>> N :: 109.91(4.29) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.981 CA :: 58.692 CB :: 63.622 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.356 HA :: 4.345 HB2 :: 3.805 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 :: 116.143 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F166 1.F166 1.Q64 1.Q64 C Shift Assignments>> C :: 175.027 CA :: 58.658 CB :: 63.689 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.420 HA :: 4.398 HB2 :: 3.785 HB3 :: 3.785 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 :: 117.569 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 173.462 CA :: 45.419 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.262 HA2 :: 3.899 HA3 :: 3.947 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.485 Ave N Shift Values>> N :: 109.91(4.29) 1.W8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.42 H 0.04 C Shift Assignments>> C :: 175.083 CA :: 56.430 CB :: 29.887 CD1 :: 127.585 CE3 :: 121.134 CZ2 :: 114.155 CZ3 :: 121.583 CH2 :: 124.118 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 :: 7.863 HA :: 4.760 HB2 :: 3.304 HB3 :: 3.234 HD1 :: 7.178 HE1 :: 10.562 HE3 :: 7.552 HZ2 :: 7.242 HZ3 :: 7.017 HH2 :: 6.980 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 :: 120.548 NE1 :: 130.457 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E9 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 0.07 Q 0.05 I 0.03 C Shift Assignments>> C :: 175.275 CA :: 56.102 CB :: 30.440 CG :: 36.194 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 :: 8.672 HA :: 4.241 HB2 :: 1.862 HB3 :: 1.951 HG2 :: 2.140 HG3 :: 2.140 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 :: 123.351 Ave N Shift Values>> N :: 120.68(3.68) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.550 CA :: 57.170 CB :: 64.792 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.308 HA :: 4.670 HB2 :: 3.813 HB3 :: 3.813 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 :: 116.758 Ave N Shift Values>> N :: 116.3(3.95) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.18 C 0.16 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 173.616 CA :: 53.013 CB :: 38.767 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 :: 8.939 HA :: 4.957 HB2 :: 2.932 HB3 :: 2.932 HD21 :: 7.596 HD22 :: 6.929 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 :: 123.591 ND2 :: 112.452 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.43 G 0.07 C Shift Assignments>> C :: 174.175 CA :: 60.770 CB :: 42.535 CE1 :: 118.443 CE2 :: 118.443 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 :: 9.086 HA :: 4.131 HB2 :: 2.713 HB3 :: 2.850 HD1 :: 6.157 HD2 :: 6.157 HE1 :: 6.553 HE2 :: 6.553 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.264 Ave N Shift Values>> N :: 120.79(4.69) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 176.565 CA :: 59.213 CB :: 38.639 CD1 :: 132.200 CD2 :: 132.200 CE1 :: 131.260 CE2 :: 131.260 CZ :: 130.897 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 :: 8.218 HA :: 4.160 HB2 :: 2.531 HB3 :: 3.229 HD1 :: 7.523 HD2 :: 7.523 HE1 :: 6.938 HE2 :: 6.938 HZ :: 7.266 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.089 Ave N Shift Values>> N :: 120.69(4.18) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.141 CA :: 45.470 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.639 HA2 :: 3.999 HA3 :: 3.999 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.125 Ave N Shift Values>> N :: 109.91(4.29) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.3 C 0.19 C Shift Assignments>> C :: 172.963 CA :: 51.712 CB :: 32.098 CG :: 31.068 CE :: 17.621 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 :: 7.319 HA :: 4.887 HB2 :: 1.983 HB3 :: 2.391 HG2 :: 1.689 HG3 :: 1.745 HE1 :: 2.048 HE2 :: 2.048 HE3 :: 2.048 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 :: 118.858 Ave N Shift Values>> N :: 120.1(3.88) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> C :: 177.177 CA :: 62.803 CB :: 32.006 CG :: 28.161 CD :: 50.035 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 :: 4.154 HB2 :: 1.751 HB3 :: 2.299 HG2 :: 2.104 HG3 :: 1.924 HD2 :: 3.652 HD3 :: 3.172 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.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.33 R 0.09 G 0.04 C Shift Assignments>> C :: 178.579 CA :: 58.001 CB :: 42.803 CG :: 26.415 CD1 :: 24.463 CD2 :: 25.859 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 :: 8.572 HA :: 3.741 HB2 :: 1.732 HB3 :: 1.588 HG :: 1.669 HD11 :: 1.093 HD12 :: 1.093 HD13 :: 1.093 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 124.271 Ave N Shift Values>> N :: 121.98(4.07) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.23 R 0.09 E 0.08 I 0.02 M 0.01 C Shift Assignments>> C :: 176.348 CA :: 58.530 CB :: 27.932 CG :: 33.755 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 :: 8.677 HA :: 3.964 HB2 :: 2.028 HB3 :: 2.071 HG2 :: 2.318 HG3 :: 2.358 HE21 :: 7.233 HE22 :: 6.805 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 :: 111.553 NE2 :: 111.851 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.16 Y 0.14 C 0.14 L 0.13 N 0.08 K 0.07 I 0.01 C Shift Assignments>> C :: 177.197 CA :: 55.660 CB :: 40.308 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 :: 7.706 HA :: 4.651 HB2 :: 2.710 HB3 :: 2.710 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.972 Ave N Shift Values>> N :: 120.73(4.2) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 L 0.21 C 0.2 G 0.16 R 0.02 C Shift Assignments>> C :: 176.508 CA :: 54.176 CB :: 43.642 CG :: 25.566 CD1 :: 25.666 CD2 :: 20.616 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 :: 7.784 HA :: 4.452 HB2 :: 1.797 HB3 :: 1.526 HG :: 1.576 HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 HD21 :: 0.145 HD22 :: 0.145 HD23 :: 0.145 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.595 Ave N Shift Values>> N :: 121.98(4.07) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.12 I 0.02 A 0.01 C Shift Assignments>> C :: 174.187 CA :: 58.999 CB :: 35.555 CG1 :: 21.124 CG2 :: 18.026 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 :: 7.029 HA :: 4.937 HB :: 2.391 HG11 :: 0.700 HG12 :: 0.700 HG13 :: 0.700 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 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 :: 110.372 Ave N Shift Values>> N :: 121.02(4.96) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 T 0.44 C Shift Assignments>> C :: 175.481 CA :: 59.378 CB :: 73.126 CG2 :: 22.055 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 :: 7.814 HA :: 4.770 HB :: 4.617 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 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 :: 110.294 Ave N Shift Values>> N :: 115.7(5.05) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.02 HN Overlap>> 1.A84 1.R119 1.A84 1.R119 C Shift Assignments>> C :: 179.496 CA :: 55.053 CB :: 18.104 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.766 HA :: 4.060 HB1 :: 1.437 HB2 :: 1.437 HB3 :: 1.437 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.297 Ave N Shift Values>> N :: 123.23(3.7) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.13 M 0.05 K 0.04 Q 0.01 C Shift Assignments>> C :: 176.450 CA :: 58.046 CB :: 30.279 CG :: 36.953 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 :: 8.009 HA :: 4.135 HB2 :: 1.980 HB3 :: 2.028 HG2 :: 2.282 HG3 :: 2.359 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.917 Ave N Shift Values>> N :: 120.68(3.68) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.29 R 0.24 M 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 174.346 CA :: 52.732 CB :: 31.695 CG :: 23.780 CD :: 28.623 CE :: 42.072 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 :: 7.457 HA :: 4.834 HB2 :: 1.832 HB3 :: 1.832 HG2 :: 1.277 HG3 :: 1.381 HD2 :: 1.814 HD3 :: 1.741 HE2 :: 2.960 HE3 :: 3.083 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 :: 119.898 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 174.250 CA :: 64.247 CB :: 33.717 CG :: 26.811 CD :: 50.785 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 :: 4.584 HB2 :: 2.046 HB3 :: 2.315 HG2 :: 1.777 HG3 :: 1.978 HD2 :: 3.707 HD3 :: 3.294 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.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.26 I 0.04 C Shift Assignments>> C :: 174.852 CA :: 54.271 CB :: 37.227 CG1 :: 26.410 CG2 :: 15.892 CD1 :: 9.942 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 :: 7.895 HA :: 4.523 HB :: 1.768 HG12 :: 1.350 HG13 :: 0.738 HG21 :: 0.131 HG22 :: 0.131 HG23 :: 0.131 HD11 :: 0.461 HD12 :: 0.461 HD13 :: 0.461 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 :: 117.690 Ave N Shift Values>> N :: 121.6(4.72) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.945 CA :: 62.990 CB :: 32.080 CG :: 28.251 CD :: 51.216 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 :: 4.277 HB2 :: 1.464 HB3 :: 2.474 HG2 :: 1.911 HG3 :: 1.911 HD2 :: 3.216 HD3 :: 3.874 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.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.36 R 0.21 G 0.02 C Shift Assignments>> C :: 177.651 CA :: 57.866 CB :: 42.404 CG :: 27.460 CD1 :: 23.117 CD2 :: 26.053 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 :: 8.961 HA :: 4.285 HB2 :: 2.066 HB3 :: 1.730 HG :: 1.684 HD11 :: 1.139 HD12 :: 1.139 HD13 :: 1.139 HD21 :: 1.155 HD22 :: 1.155 HD23 :: 1.155 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.677 Ave N Shift Values>> N :: 121.98(4.07) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.2 C Shift Assignments>> C :: 176.347 CA :: 62.175 CB :: 41.152 CD1 :: 131.270 CD2 :: 131.270 CE1 :: 130.973 CE2 :: 130.973 CZ :: 129.571 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.644 HA :: 3.165 HB2 :: 1.964 HB3 :: 1.741 HD1 :: 5.901 HD2 :: 5.901 HE1 :: 7.047 HE2 :: 7.047 HZ :: 6.874 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 :: 113.770 Ave N Shift Values>> N :: 120.69(4.18) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.148 CA :: 65.432 CB :: 31.315 CG1 :: 21.000 CG2 :: 24.428 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.279 HA :: 3.035 HB :: 1.963 HG11 :: 0.950 HG12 :: 0.950 HG13 :: 0.950 HG21 :: 0.312 HG22 :: 0.312 HG23 :: 0.312 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.120 Ave N Shift Values>> N :: 121.02(4.96) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.17 M 0.05 K 0.02 C Shift Assignments>> C :: 178.044 CA :: 59.091 CB :: 30.666 CG :: 36.959 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 :: 7.384 HA :: 4.264 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 2.036 HG3 :: 1.748 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 :: 118.266 Ave N Shift Values>> N :: 120.68(3.68) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 180.525 CA :: 59.200 CB :: 32.201 CG :: 25.166 CD :: 29.331 CE :: 42.077 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 :: 8.300 HA :: 3.977 HB2 :: 1.710 HB3 :: 1.502 HG2 :: 1.660 HG3 :: 1.566 HD2 :: 1.879 HD3 :: 1.599 HE2 :: 3.454 HE3 :: 3.080 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 :: 115.379 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 P 0.31 C 0.08 V 0.07 W 0.03 C Shift Assignments>> C :: 176.147 CA :: 64.090 CB :: 28.620 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.340 HA :: 3.652 HB2 :: 2.693 HB3 :: 2.158 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 :: 115.529 Ave N Shift Values>> N :: 119.95(4.79) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.618 CA :: 67.869 CB :: 30.313 CG1 :: 20.064 CG2 :: 24.007 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 :: 8.319 HA :: 2.978 HB :: 2.286 HG11 :: 0.264 HG12 :: 0.264 HG13 :: 0.264 HG21 :: 0.606 HG22 :: 0.606 HG23 :: 0.606 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 :: 119.687 Ave N Shift Values>> N :: 121.02(4.96) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.33 E 0.27 K 0.03 C Shift Assignments>> C :: 178.957 CA :: 59.871 CB :: 29.174 CG :: 37.003 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 :: 8.655 HA :: 3.916 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 2.232 HG3 :: 2.642 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.777 Ave N Shift Values>> N :: 120.68(3.68) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.24 C 0.2 C Shift Assignments>> C :: 178.379 CA :: 61.613 CB :: 39.966 CD1 :: 131.527 CD2 :: 131.527 CE1 :: 131.198 CE2 :: 131.198 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.425 HA :: 4.310 HB2 :: 3.295 HB3 :: 3.113 HD1 :: 7.083 HD2 :: 7.083 HE1 :: 6.994 HE2 :: 6.994 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.113 Ave N Shift Values>> N :: 120.69(4.18) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 174.724 CA :: 65.828 CB :: 38.040 CG1 :: 30.126 CG2 :: 18.702 CD1 :: 13.302 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 :: 8.512 HA :: 3.305 HB :: 1.956 HG12 :: 2.126 HG13 :: 1.039 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 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 :: 121.691 Ave N Shift Values>> N :: 121.6(4.72) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.33 E 0.06 L 0.01 C Shift Assignments>> C :: 178.900 CA :: 60.358 CB :: 28.339 CG :: 38.817 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 :: 9.058 HA :: 3.913 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.978 HG3 :: 2.106 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 :: 118.031 Ave N Shift Values>> N :: 120.68(3.68) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.17 F 0.15 C 0.12 Y 0.11 D 0.1 R 0.08 I 0.02 N 0.01 C Shift Assignments>> C :: 178.318 CA :: 56.959 CB :: 41.523 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 :: 8.121 HA :: 4.532 HB2 :: 2.810 HB3 :: 2.561 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.804 Ave N Shift Values>> N :: 120.73(4.2) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.466 CA :: 62.699 CB :: 71.386 CG2 :: 20.862 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 :: 7.468 HA :: 4.480 HB :: 3.763 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.414 Ave N Shift Values>> N :: 115.7(5.05) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.27 L 0.26 G 0.25 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.027 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.570 HA2 :: 3.169 HA3 :: 3.437 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.47 C 0.31 K 0.18 R 0.02 G 0.01 C Shift Assignments>> C :: 176.210 CA :: 57.650 CB :: 41.949 CD1 :: 25.203 CD2 :: 25.768 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 :: 8.580 HA :: 3.958 HB2 :: 2.053 HB3 :: 1.523 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 HD21 :: 0.903 HD22 :: 0.903 HD23 :: 0.903 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 I 0.13 C 0.13 Q 0.1 K 0.1 W 0.09 L 0.08 H 0.07 E 0.06 C Shift Assignments>> C :: 173.585 CA :: 58.653 CB :: 27.331 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.099 HA :: 4.386 HB2 :: 2.863 HB3 :: 3.084 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 :: 110.916 Ave N Shift Values>> N :: 119.95(4.79) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 173.394 CA :: 64.100 CB :: 69.650 CG2 :: 20.565 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 :: 7.465 HA :: 3.806 HB :: 4.068 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.527 Ave N Shift Values>> N :: 115.7(5.05) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.16 K 0.05 M 0.03 Q 0.01 C Shift Assignments>> C :: 178.407 CA :: 58.101 CB :: 29.607 CG :: 36.935 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 :: 8.671 HA :: 3.974 HB2 :: 2.047 HB3 :: 1.875 HG2 :: 2.179 HG3 :: 2.338 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.181 Ave N Shift Values>> N :: 120.68(3.68) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 174.171 CA :: 46.668 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.189 HA2 :: 3.946 HA3 :: 4.030 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.257 Ave N Shift Values>> N :: 109.91(4.29) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.4 R 0.12 G 0.02 C Shift Assignments>> C :: 175.294 CA :: 57.442 CB :: 42.351 CG :: 25.871 CD1 :: 22.826 CD2 :: 26.542 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.902 HA :: 3.678 HB2 :: 1.560 HB3 :: 1.476 HG :: 1.284 HD11 :: 0.522 HD12 :: 0.522 HD13 :: 0.522 HD21 :: 0.803 HD22 :: 0.803 HD23 :: 0.803 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.763 Ave N Shift Values>> N :: 121.98(4.07) 1.Y49 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.46 C Shift Assignments>> C :: 175.697 CA :: 65.126 CB :: 35.931 CD1 :: 133.066 CD2 :: 133.066 CE1 :: 117.890 CE2 :: 117.890 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 :: 8.537 HA :: 3.806 HB2 :: 4.072 HB3 :: 2.915 HD1 :: 6.929 HD2 :: 6.929 HE1 :: 7.005 HE2 :: 7.005 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 :: 113.128 Ave N Shift Values>> N :: 120.79(4.69) SRO Rule Breaks>> (HA > HB2 : 0.9923) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.4 G 0.15 K 0.04 C Shift Assignments>> C :: 177.380 CA :: 57.650 CB :: 31.293 CG :: 26.879 CD :: 43.994 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 :: 8.816 HA :: 4.484 HB2 :: 1.936 HB3 :: 1.730 HG2 :: 1.573 HG3 :: 1.628 HD2 :: 3.113 HD3 :: 3.180 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 :: 122.448 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.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 HN Overlap>> 1.H104 1.H104 C Shift Assignments>> C :: 176.405 CA :: 62.639 CB :: 32.510 CG1 :: 21.364 CG2 :: 21.357 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 :: 8.072 HA :: 3.999 HB :: 1.931 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 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 :: 120.527 Ave N Shift Values>> N :: 121.02(4.96) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.065 CA :: 58.507 CB :: 64.312 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.618 HA :: 4.481 HB2 :: 3.925 HB3 :: 3.847 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.651 Ave N Shift Values>> N :: 116.3(3.95) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.23 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.963 CA :: 44.254 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.280 HA2 :: 3.511 HA3 :: 4.214 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.305 Ave N Shift Values>> N :: 109.91(4.29) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.2 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.421 CB :: 38.945 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 :: 8.665 HA :: 4.612 HB2 :: 2.840 HB3 :: 2.875 HD21 :: 7.641 HD22 :: 6.999 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.736 ND2 :: 113.547 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.38 C 0.35 R 0.23 G 0.01 M 0.01 C Shift Assignments>> C :: 177.617 CA :: 59.260 CB :: 32.492 CG :: 24.775 CD :: 28.532 CE :: 42.348 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 3.869 HB2 :: 1.886 HB3 :: 1.851 HG2 :: 1.446 HG3 :: 1.446 HD2 :: 1.733 HD3 :: 1.573 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.547 CA :: 65.985 CB :: 68.467 CG2 :: 22.106 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 :: 8.107 HA :: 3.970 HB :: 4.141 HG21 :: 1.227 HG22 :: 1.227 HG23 :: 1.227 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.785 Ave N Shift Values>> N :: 115.7(5.05) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.18 C 0.15 K 0.13 L 0.12 D 0.1 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 178.368 CA :: 57.267 CB :: 40.745 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 :: 7.616 HA :: 4.427 HB2 :: 2.766 HB3 :: 2.620 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 :: 120.941 Ave N Shift Values>> N :: 120.73(4.2) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.21 E 0.14 M 0.04 R 0.03 I 0.03 C Shift Assignments>> C :: 177.859 CA :: 59.464 CB :: 29.334 CG :: 33.926 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 :: 7.799 HA :: 3.937 HB2 :: 2.202 HB3 :: 2.097 HG2 :: 2.422 HG3 :: 2.651 HE21 :: 7.699 HE22 :: 6.784 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.686 NE2 :: 111.262 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 C 0.17 D 0.11 L 0.1 K 0.05 I 0.05 N 0.03 HN Overlap>> 1.I164 1.E179 1.I164 1.E179 C Shift Assignments>> C :: 178.582 CA :: 57.000 CB :: 40.108 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 :: 8.560 HA :: 4.257 HB2 :: 2.771 HB3 :: 2.488 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 :: 119.885 Ave N Shift Values>> N :: 120.73(4.2) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.2 F 0.14 N 0.13 E 0.1 D 0.07 I 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 177.582 CA :: 55.921 CB :: 38.035 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 :: 8.151 HA :: 4.438 HB2 :: 2.965 HB3 :: 2.784 HD21 :: 7.854 HD22 :: 6.960 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.554 ND2 :: 113.097 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.Y101 1.Y101 C Shift Assignments>> C :: 177.397 CA :: 65.728 CB :: 37.711 CG1 :: 29.110 CG2 :: 16.994 CD1 :: 14.428 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.759 HA :: 3.494 HB :: 2.031 HG12 :: 1.002 HG13 :: 1.834 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 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 :: 120.050 Ave N Shift Values>> N :: 121.6(4.72) 1.Q62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.32 E 0.23 I 0.15 K 0.13 Q 0.1 M 0.01 R 0.01 C Shift Assignments>> C :: 177.563 CA :: 60.269 CB :: 29.099 CG :: 35.100 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 :: 7.205 HA :: 3.664 HB2 :: 1.269 HB3 :: 2.025 HG2 :: 1.312(S) HG3 :: 2.133 HE21 :: 6.710 HE22 :: 5.356(S) 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 :: 116.047 NE2 :: 107.322 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.38 R 0.15 M 0.01 C Shift Assignments>> C :: 179.682 CA :: 59.812 CB :: 32.530 CG :: 24.941 CD :: 29.026 CE :: 41.878 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 :: 8.448 HA :: 3.794 HB2 :: 1.551 HB3 :: 1.624 HG2 :: 0.620 HG3 :: 0.890 HD2 :: 1.264 HD3 :: 1.264 HE2 :: 2.410 HE3 :: 2.410 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 :: 118.883 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.21 K 0.2 E 0.13 I 0.06 R 0.05 M 0.01 HN Overlap>> 1.F166 1.S6 1.F166 1.S6 C Shift Assignments>> C :: 178.811 CA :: 58.899 CB :: 27.864 CG :: 34.381 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 :: 8.503 HA :: 3.985 HB2 :: 2.095 HB3 :: 2.095 HG2 :: 2.461 HG3 :: 2.461 HE21 :: 6.786 HE22 :: 7.330 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.578 NE2 :: 111.679 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 F 0.36 HN Overlap>> 1.V148 1.V148 1.V127 1.V127 C Shift Assignments>> C :: 176.268 CA :: 60.657 CB :: 39.194 CD1 :: 128.941 CD2 :: 128.941 CE1 :: 131.318 CE2 :: 131.318 CZ :: 127.995 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 :: 8.193 HA :: 4.305 HB2 :: 3.191 HB3 :: 3.299 HD1 :: 5.840 HD2 :: 5.840 HE1 :: 6.937 HE2 :: 6.937 HZ :: 6.269 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 :: 120.055 Ave N Shift Values>> N :: 120.69(4.18) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 K 0.19 L 0.19 C 0.11 F 0.1 Y 0.08 D 0.06 I 0.01 C Shift Assignments>> C :: 178.174 CA :: 57.105 CB :: 42.415 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 :: 8.552 HA :: 4.370 HB2 :: 3.198 HB3 :: 3.042 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.593 Ave N Shift Values>> N :: 120.73(4.2) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.21 E 0.16 M 0.06 R 0.03 I 0.01 C Shift Assignments>> C :: 175.889 CA :: 57.229 CB :: 29.373 CG :: 34.177 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 :: 7.384 HA :: 4.066 HB2 :: 2.064 HB3 :: 2.105 HG2 :: 2.400 HG3 :: 2.490 HE21 :: 6.802 HE22 :: 7.416 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 :: 114.348 NE2 :: 111.819 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 N 0.11 K 0.11 C 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> C :: 174.469 CA :: 53.643 CB :: 41.288 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 :: 7.681 HA :: 4.366 HB2 :: 2.713 HB3 :: 2.504 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 :: 119.239 Ave N Shift Values>> N :: 120.73(4.2) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.31 C 0.24 C Shift Assignments>> C :: 174.869 CA :: 54.862 CB :: 28.334 CD2 :: 119.610 CE1 :: 135.922 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 :: 8.673 HA :: 3.518 HB2 :: 2.924 HB3 :: 2.797 HD2 :: 7.082 HE1 :: 8.382 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 :: 121.786 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.17 D 0.13 Y 0.06 F 0.04 L 0.02 E 0.01 C Shift Assignments>> C :: 175.457 CA :: 52.501 CB :: 38.321 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 :: 8.230 HA :: 4.798 HB2 :: 2.738 HB3 :: 2.933 HD21 :: 7.794 HD22 :: 6.897 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 :: 113.495 ND2 :: 114.514 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> 1.V191 1.V191 C Shift Assignments>> C :: 173.391 CA :: 62.023 CB :: 39.532 CG1 :: 26.669 CG2 :: 18.077 CD1 :: 15.071 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 :: 7.372 HA :: 3.940 HB :: 2.077 HG12 :: 1.251 HG13 :: 1.540 HG21 :: 1.144 HG22 :: 1.144 HG23 :: 1.144 HD11 :: 0.947 HD12 :: 0.947 HD13 :: 0.947 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 :: 117.168 Ave N Shift Values>> N :: 121.6(4.72) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.18 C 0.16 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> C :: 175.964 CA :: 50.987 CB :: 39.021 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 :: 8.551 HA :: 4.943 HB2 :: 2.995 HB3 :: 2.683 HD21 :: 7.665 HD22 :: 6.987 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.925 ND2 :: 112.583 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.36 R 0.13 K 0.01 C Shift Assignments>> C :: 178.805 CA :: 58.111 CB :: 41.680 CG :: 27.514 CD1 :: 26.032 CD2 :: 23.431 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.106 HA :: 3.845 HB2 :: 1.399 HB3 :: 0.483 HG :: 1.522 HD11 :: 0.564 HD12 :: 0.564 HD13 :: 0.564 HD21 :: 0.635 HD22 :: 0.635 HD23 :: 0.635 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 :: 125.716 Ave N Shift Values>> N :: 121.98(4.07) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.K129 1.K129 C Shift Assignments>> C :: 178.910 CA :: 65.961 CB :: 31.650 CG1 :: 20.995 CG2 :: 22.641 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 :: 8.030 HA :: 3.948 HB :: 2.299 HG11 :: 1.016 HG12 :: 1.016 HG13 :: 1.016 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 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 :: 117.179 Ave N Shift Values>> N :: 121.02(4.96) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.347 CA :: 59.943 CB :: 63.413 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.720 HA :: 4.385 HB2 :: 3.929 HB3 :: 3.995 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.693 Ave N Shift Values>> N :: 116.3(3.95) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.44 A 0.03 I 0.02 C Shift Assignments>> C :: 175.402 CA :: 56.857 CB :: 35.217 CG :: 32.141 CE :: 16.204 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 :: 7.478 HA :: 4.187 HB2 :: 1.945 HB3 :: 2.210 HG2 :: 2.518 HG3 :: 2.594 HE1 :: 1.903 HE2 :: 1.903 HE3 :: 1.903 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 :: 118.804 Ave N Shift Values>> N :: 120.1(3.88) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.21 I 0.17 K 0.06 Q 0.02 C Shift Assignments>> C :: 175.729 CA :: 57.163 CB :: 26.993 CG :: 36.606 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 :: 7.986 HA :: 4.125 HB2 :: 2.140 HB3 :: 2.140 HG2 :: 2.193 HG3 :: 2.193 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 :: 115.988 Ave N Shift Values>> N :: 120.68(3.68) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.32 I 0.01 C Shift Assignments>> C :: 175.944 CA :: 59.280 CB :: 34.035 CG1 :: 22.201 CG2 :: 18.844 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 :: 7.312 HA :: 4.635 HB :: 2.056 HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.480 HG22 :: 0.480 HG23 :: 0.480 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 111.226 Ave N Shift Values>> N :: 121.02(4.96) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 175.856 CA :: 60.067 CB :: 71.452 CG2 :: 21.911 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 :: 8.144 HA :: 4.657 HB :: 4.705 HG21 :: 1.396 HG22 :: 1.396 HG23 :: 1.396 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 :: 110.637 Ave N Shift Values>> N :: 115.7(5.05) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.251 CA :: 66.721 CB :: 31.488 CG1 :: 21.926 CG2 :: 23.534 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 :: 8.856 HA :: 3.755 HB :: 2.087 HG11 :: 0.929 HG12 :: 0.929 HG13 :: 0.929 HG21 :: 1.015 HG22 :: 1.015 HG23 :: 1.015 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 :: 120.291 Ave N Shift Values>> N :: 121.02(4.96) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.19 Y 0.17 N 0.1 F 0.09 M 0.05 I 0.03 D 0.03 K 0.01 HN Overlap>> 1.F201 1.T193 1.F201 1.T193 C Shift Assignments>> C :: 178.241 CA :: 55.951 CB :: 37.245 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 :: 8.191 HA :: 4.498 HB2 :: 2.489 HB3 :: 2.602 HD21 :: 7.418 HD22 :: 6.749 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.334 ND2 :: 111.387 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.39 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 179.000 CA :: 55.109 CB :: 18.717 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.908 HA :: 4.287 HB1 :: 1.465 HB2 :: 1.465 HB3 :: 1.465 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.521 Ave N Shift Values>> N :: 123.23(3.7) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.067 CA :: 67.268 CB :: 31.555 CG1 :: 22.361 CG2 :: 24.506 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 :: 7.614 HA :: 3.445 HB :: 2.096 HG11 :: 0.998 HG12 :: 0.998 HG13 :: 0.998 HG21 :: 0.672 HG22 :: 0.672 HG23 :: 0.672 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 :: 119.607 Ave N Shift Values>> N :: 121.02(4.96) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.04 C 0.03 V 0.01 HN Overlap>> 1.R119 1.A23 1.R119 1.A23 C Shift Assignments>> C :: 180.159 CA :: 55.372 CB :: 18.387 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.820 HA :: 4.116 HB1 :: 1.222 HB2 :: 1.222 HB3 :: 1.222 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.325 Ave N Shift Values>> N :: 123.23(3.7) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.03 C Shift Assignments>> C :: 176.998 CA :: 47.025 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.029 HA2 :: 3.979 HA3 :: 3.853 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.387 Ave N Shift Values>> N :: 109.91(4.29) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.41 C 0.03 I 0.02 C Shift Assignments>> C :: 179.185 CA :: 55.002 CB :: 18.670 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.501 HA :: 4.206 HB1 :: 1.758 HB2 :: 1.758 HB3 :: 1.758 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.726 Ave N Shift Values>> N :: 123.23(3.7) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.31 R 0.13 K 0.05 C Shift Assignments>> C :: 178.894 CA :: 58.505 CB :: 41.096 CG :: 27.867 CD1 :: 25.330 CD2 :: 26.692 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 :: 8.712 HA :: 4.390 HB2 :: 1.686 HB3 :: 2.596 HG :: 2.023 HD11 :: 1.166 HD12 :: 1.166 HD13 :: 1.166 HD21 :: 1.289 HD22 :: 1.289 HD23 :: 1.289 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.771 Ave N Shift Values>> N :: 121.98(4.07) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.36 R 0.11 HN Overlap>> 1.T143 1.T143 C Shift Assignments>> C :: 178.678 CA :: 61.782 CB :: 32.197 CG :: 25.895 CD :: 29.520 CE :: 41.302 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 :: 8.050 HA :: 4.111 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 1.133 HG3 :: 1.734 HD2 :: 1.494 HD3 :: 1.450 HE2 :: 2.648 HE3 :: 2.737 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 :: 117.431 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 179.022 CA :: 54.915 CB :: 18.080 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.247 HA :: 4.134 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.535 Ave N Shift Values>> N :: 123.23(3.7) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 177.293 CA :: 61.650 CB :: 38.585 CD1 :: 131.706 CD2 :: 131.706 CE1 :: 130.851 CE2 :: 130.851 CZ :: 128.488 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 :: 8.020 HA :: 4.218 HB2 :: 3.325 HB3 :: 3.657 HD1 :: 6.398 HD2 :: 6.398 HE1 :: 6.735 HE2 :: 6.735 HZ :: 6.800 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.595 Ave N Shift Values>> N :: 120.69(4.18) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 178.418 CA :: 62.205 CB :: 39.355 CD1 :: 132.383 CD2 :: 132.383 CE1 :: 130.533 CE2 :: 130.533 CZ :: 129.451 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.349 HA :: 4.068 HB2 :: 3.085 HB3 :: 3.367 HD1 :: 7.713 HD2 :: 7.713 HE1 :: 7.361 HE2 :: 7.361 HZ :: 7.134 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 :: 114.679 Ave N Shift Values>> N :: 120.69(4.18) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 C 0.02 I 0.01 C Shift Assignments>> C :: 178.183 CA :: 54.089 CB :: 18.393 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.382 HA :: 4.590 HB1 :: 1.535 HB2 :: 1.535 HB3 :: 1.535 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.291 Ave N Shift Values>> N :: 123.23(3.7) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 K 0.11 C 0.11 N 0.1 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.814 CA :: 54.154 CB :: 41.098 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 :: 7.658 HA :: 4.611 HB2 :: 2.612 HB3 :: 2.612 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.487 Ave N Shift Values>> N :: 120.73(4.2) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.24 A 0.1 R 0.03 G 0.01 C Shift Assignments>> C :: 177.200 CA :: 53.790 CB :: 41.840 CG :: 25.964 CD1 :: 26.288 CD2 :: 22.588 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.746 HA :: 4.017 HB2 :: 1.675 HB3 :: 1.532 HG :: 1.731 HD11 :: 1.089 HD12 :: 1.089 HD13 :: 1.089 HD21 :: 0.593 HD22 :: 0.593 HD23 :: 0.593 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.573 Ave N Shift Values>> N :: 121.98(4.07) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 175.375 CA :: 64.841 CB :: 31.472 CG :: 27.403 CD :: 50.068 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 :: 4.252 HB2 :: 2.282 HB3 :: 1.982 HG2 :: 1.917 HG3 :: 1.793 HD2 :: 3.172 HD3 :: 3.653 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.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.17 C 0.14 D 0.13 R 0.08 N 0.02 K 0.01 F 0.01 C Shift Assignments>> C :: 172.361 CA :: 50.739 CB :: 43.337 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 :: 6.946 HA :: 5.028 HB2 :: 2.722 HB3 :: 2.253 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 :: 114.456 Ave N Shift Values>> N :: 120.73(4.2) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 176.343 CA :: 61.802 CB :: 31.726 CG :: 26.151 CD :: 50.234 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 :: 4.415 HB2 :: 1.590 HB3 :: 2.083 HG2 :: 1.502 HG3 :: 0.876 HD2 :: 3.480 HD3 :: 3.151 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.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 C 0.33 R 0.25 G 0.04 K 0.02 HN Overlap>> 1.D174 1.D174 C Shift Assignments>> C :: 176.701 CA :: 57.293 CB :: 42.883 CG :: 27.335 CD1 :: 24.620 CD2 :: 27.072 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.517 HA :: 3.919 HB2 :: 1.609 HB3 :: 1.778 HG :: 1.743 HD11 :: 1.256 HD12 :: 1.256 HD13 :: 1.256 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 119.591 Ave N Shift Values>> N :: 121.98(4.07) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.43 A 0.02 C Shift Assignments>> C :: 173.527 CA :: 58.090 CB :: 36.468 CG1 :: 26.810 CG2 :: 17.132 CD1 :: 13.013 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 :: 7.432 HA :: 3.829 HB :: 1.786 HG12 :: 0.195 HG13 :: 1.275 HG21 :: 0.569 HG22 :: 0.569 HG23 :: 0.569 HD11 :: 0.657 HD12 :: 0.657 HD13 :: 0.657 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 :: 113.507 Ave N Shift Values>> N :: 121.6(4.72) 1.P100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.079 CB :: 32.661 CG :: 27.322 CD :: 50.124 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.944 HB2 :: 1.728 HB3 :: 2.121 HG2 :: 1.722 HG3 :: 1.646 HD2 :: 2.277(S) HD3 :: 3.297 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.Y101 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.64 C 0.35 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> C :: 179.844 CA :: 60.668 CB :: 38.495 CD1 :: 132.767 CD2 :: 132.767 CE1 :: 118.585 CE2 :: 118.585 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 :: 7.822 HA :: 2.572(S) HB2 :: 2.866 HB3 :: 2.599 HD1 :: 7.051 HD2 :: 7.051 HE1 :: 7.066 HE2 :: 7.066 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 :: 120.124 Ave N Shift Values>> N :: 120.79(4.69) SRO Rule Breaks>> (HA > HB2 : 0.9923) (HA > HB3 : 0.9965) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.890 CA :: 60.691 CB :: 62.011 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 :: 4.086 HB2 :: 3.920 HB3 :: 3.920 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 :: 113.433 Ave N Shift Values>> N :: 116.3(3.95) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.26 R 0.19 A 0.05 G 0.03 K 0.01 HN Overlap>> 1.T45 1.T45 C Shift Assignments>> C :: 177.299 CA :: 54.298 CB :: 42.569 CG :: 27.204 CD1 :: 27.319 CD2 :: 22.948 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 :: 7.510 HA :: 4.759 HB2 :: 1.599 HB3 :: 1.534 HG :: 1.644 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.495 Ave N Shift Values>> N :: 121.98(4.07) 1.H104 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 H 0.25 W 0.1 HN Overlap>> 1.V51 1.V51 C Shift Assignments>> C :: 174.154 CA :: 60.709 CB :: 28.849 CD2 :: 116.730 CE1 :: 140.808(A) 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 :: 8.130 HA :: 4.412 HB2 :: 3.550 HB3 :: 3.106 HD2 :: 6.529 HE1 :: 8.577 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 :: 120.581 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 179.855 CA :: 66.645 CB :: 30.855 CG :: 28.583 CD :: 50.589 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 :: 4.267 HB2 :: 2.013 HB3 :: 2.383 HG2 :: 2.181 HG3 :: 2.030 HD2 :: 3.681 HD3 :: 3.946 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.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.28 M 0.02 K 0.01 C Shift Assignments>> C :: 179.666 CA :: 59.473 CB :: 30.058 CG :: 37.474 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 :: 7.436 HA :: 4.122 HB2 :: 2.119 HB3 :: 2.119 HG2 :: 2.341 HG3 :: 2.341 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 :: 115.346 Ave N Shift Values>> N :: 120.68(3.68) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.34 R 0.15 G 0.02 K 0.01 C Shift Assignments>> C :: 177.386 CA :: 58.442 CB :: 42.470 CG :: 26.816 CD1 :: 26.628 CD2 :: 24.603 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 :: 8.286 HA :: 3.927 HB2 :: 1.291 HB3 :: 2.136 HG :: 1.972 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.989 HD22 :: 0.989 HD23 :: 0.989 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 :: 121.450 Ave N Shift Values>> N :: 121.98(4.07) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.45 R 0.02 A 0.02 HN Overlap>> 1.E206 1.E206 C Shift Assignments>> C :: 178.499 CA :: 57.633 CB :: 41.004 CG :: 26.806 CD1 :: 25.089 CD2 :: 21.586 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 :: 8.182 HA :: 3.643 HB2 :: 1.755 HB3 :: 1.293 HG :: 1.598 HD11 :: 0.620 HD12 :: 0.620 HD13 :: 0.620 HD21 :: 0.087 HD22 :: 0.087 HD23 :: 0.087 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 :: 116.978 Ave N Shift Values>> N :: 121.98(4.07) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 I 0.12 K 0.09 Q 0.05 M 0.04 C Shift Assignments>> C :: 180.126 CA :: 58.827 CB :: 29.693 CG :: 35.958 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.577 HA :: 3.958 HB2 :: 2.022 HB3 :: 2.022 HG2 :: 2.332 HG3 :: 2.270 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 :: 115.914 Ave N Shift Values>> N :: 120.68(3.68) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.44 C 0.02 I 0.01 C Shift Assignments>> C :: 179.015 CA :: 54.204 CB :: 18.065 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.113 HA :: 4.128 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.734 Ave N Shift Values>> N :: 123.23(3.7) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.35 C 0.02 C Shift Assignments>> C :: 177.866 CA :: 53.867 CB :: 18.816 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.826 HA :: 3.759 HB1 :: 1.331 HB2 :: 1.331 HB3 :: 1.331 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.013 Ave N Shift Values>> N :: 123.23(3.7) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.2 M 0.04 C Shift Assignments>> C :: 177.103 CA :: 56.381 CB :: 33.099 CG :: 24.989 CD :: 29.767 CE :: 42.018 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 :: 7.129 HA :: 4.059 HB2 :: 1.777 HB3 :: 1.941 HG2 :: 1.341 HG3 :: 1.724 HD2 :: 1.597 HD3 :: 1.673 HE2 :: 2.864 HE3 :: 2.804 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 :: 114.584 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.711 CA :: 61.037 CB :: 39.216 CG1 :: 29.107 CG2 :: 16.556 CD1 :: 14.561 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 :: 7.601 HA :: 4.038 HB :: 1.727 HG12 :: 1.064 HG13 :: 1.913 HG21 :: 1.011 HG22 :: 1.011 HG23 :: 1.011 HD11 :: 0.984 HD12 :: 0.984 HD13 :: 0.984 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.455 Ave N Shift Values>> N :: 121.6(4.72) 1.P114 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 :: 177.551 CA :: 65.206 CB :: 32.252 CG :: 27.334 CD :: 51.718 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 :: 4.218 HB2 :: 2.268 HB3 :: 1.990 HG2 :: 1.982 HG3 :: 2.077 HD2 :: 3.856 HD3 :: 4.077 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.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 D 0.11 C 0.11 G 0.06 K 0.06 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 175.421 CA :: 54.544 CB :: 43.370 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 :: 7.281 HA :: 4.546 HB2 :: 2.596 HB3 :: 2.596 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 :: 119.285 Ave N Shift Values>> N :: 120.73(4.2) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.38 R 0.16 M 0.02 G 0.01 C Shift Assignments>> C :: 176.875 CA :: 60.452 CB :: 33.018 CG :: 24.907 CD :: 30.097 CE :: 42.021 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 :: 8.724 HA :: 3.656 HB2 :: 1.888 HB3 :: 1.758 HG2 :: 1.061 HG3 :: 1.268 HD2 :: 1.581 HD3 :: 1.632 HE2 :: 2.669 HE3 :: 2.808 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.849 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.I154 1.I154 C Shift Assignments>> C :: 176.483 CA :: 67.748 CB :: 67.696 CG2 :: 22.023 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 :: 7.908 HA :: 3.532 HB :: 4.228 HG21 :: 1.087 HG22 :: 1.087 HG23 :: 1.087 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.305 Ave N Shift Values>> N :: 115.7(5.05) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.19 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.459 CA :: 59.568 CB :: 29.979 CG :: 36.363 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 :: 8.628 HA :: 3.975 HB2 :: 2.032 HB3 :: 2.032 HG2 :: 2.457 HG3 :: 2.210 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 :: 123.062 Ave N Shift Values>> N :: 120.68(3.68) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 G 0.19 K 0.03 HN Overlap>> 1.A84 1.A84 1.A23 1.A23 C Shift Assignments>> C :: 177.712 CA :: 59.546 CB :: 30.904 CG :: 26.307 CD :: 44.009 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 :: 8.766 HA :: 3.957 HB2 :: 1.931 HB3 :: 1.931 HG2 :: 2.180 HG3 :: 1.151 HD2 :: 3.425 HD3 :: 3.168 HE :: 7.108 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 :: 122.322 NE :: 84.678 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.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.39 C Shift Assignments>> C :: 179.716 CA :: 58.481 CB :: 39.470 CG :: 27.003 CD1 :: 26.006 CD2 :: 24.482 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 :: 8.221 HA :: 3.979 HB2 :: 1.415 HB3 :: 0.906 HG :: 1.846 HD11 :: 0.379 HD12 :: 0.379 HD13 :: 0.379 HD21 :: 0.564 HD22 :: 0.564 HD23 :: 0.564 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.051 Ave N Shift Values>> N :: 121.98(4.07) 1.H121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.28 H 0.18 C Shift Assignments>> C :: 178.108 CA :: 61.741 CB :: 29.621 CD2 :: 121.413 CE1 :: 138.182 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 :: 8.226 HA :: 4.312 HB2 :: 3.164 HB3 :: 3.266 HD2 :: 7.139 HE1 :: 7.842 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.798 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 181.501 CA :: 55.448 CB :: 18.689 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.385 HA :: 4.270 HB1 :: 1.601 HB2 :: 1.601 HB3 :: 1.601 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.169 Ave N Shift Values>> N :: 123.23(3.7) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.32 R 0.2 G 0.04 K 0.01 C Shift Assignments>> C :: 178.352 CA :: 58.127 CB :: 42.848 CG :: 27.201 CD1 :: 26.573 CD2 :: 24.745 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 :: 8.567 HA :: 4.078 HB2 :: 2.254 HB3 :: 1.176 HG :: 1.885 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.902 HD22 :: 0.902 HD23 :: 0.902 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.324 Ave N Shift Values>> N :: 121.98(4.07) 1.K124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.3 K 0.26 M 0.01 G 0.01 C Shift Assignments>> C :: 177.467 CA :: 59.851 CB :: 32.474 CG :: 26.070 CD :: 30.556 CE :: 42.038 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 :: 8.584 HA :: 4.119 HB2 :: 2.310 HB3 :: 1.932 HG2 :: 1.279 HG3 :: 1.451 HD2 :: 0.568(S) HD3 :: 1.235 HE2 :: 2.664 HE3 :: 2.664 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 :: 122.063 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.15 K 0.09 Q 0.04 M 0.02 C Shift Assignments>> C :: 179.070 CA :: 58.766 CB :: 29.413 CG :: 36.194 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 :: 7.791 HA :: 4.043 HB2 :: 2.201 HB3 :: 2.099 HG2 :: 2.425 HG3 :: 2.425 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.555 Ave N Shift Values>> N :: 120.68(3.68) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.16 C Shift Assignments>> C :: 178.545 CA :: 65.218 CB :: 38.144 CG1 :: 28.794 CG2 :: 19.792 CD1 :: 15.808 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 :: 7.527 HA :: 3.721 HB :: 1.941 HG12 :: 1.259 HG13 :: 1.919 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 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 :: 117.951 Ave N Shift Values>> N :: 121.6(4.72) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.F65 1.F65 C Shift Assignments>> C :: 176.926 CA :: 64.130 CB :: 31.188 CG1 :: 21.158 CG2 :: 22.854 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 :: 8.100 HA :: 3.658 HB :: 1.912 HG11 :: 1.048 HG12 :: 1.048 HG13 :: 1.048 HG21 :: 0.461 HG22 :: 0.461 HG23 :: 0.461 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 :: 120.118 Ave N Shift Values>> N :: 121.02(4.96) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 M 0.02 C Shift Assignments>> C :: 177.559 CA :: 58.250 CB :: 32.323 CG :: 25.619 CD :: 29.463 CE :: 41.961 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 :: 7.192 HA :: 4.002 HB2 :: 1.924 HB3 :: 1.820 HG2 :: 1.442 HG3 :: 1.763 HD2 :: 1.634 HD3 :: 1.634 HE2 :: 2.922 HE3 :: 2.922 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 :: 117.653 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.32 R 0.27 M 0.03 HN Overlap>> 1.V74 1.V74 C Shift Assignments>> C :: 177.532 CA :: 56.824 CB :: 32.728 CG :: 25.813 CD :: 30.309 CE :: 41.961 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 :: 8.024 HA :: 4.337 HB2 :: 2.294 HB3 :: 2.067 HG2 :: 1.895 HG3 :: 1.430 HD2 :: 1.728 HD3 :: 1.807 HE2 :: 2.921 HE3 :: 2.921 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 :: 117.177 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 HN Overlap>> 1.K153 1.K153 C Shift Assignments>> C :: 175.940 CA :: 57.722 CB :: 39.089 CD1 :: 130.452 CD2 :: 130.452 CE1 :: 130.332 CE2 :: 130.332 CZ :: 127.962 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.961 HA :: 4.241 HB2 :: 3.145 HB3 :: 3.641 HD1 :: 7.065 HD2 :: 7.065 HE1 :: 6.424 HE2 :: 6.424 HZ :: 6.234 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 :: 121.761 Ave N Shift Values>> N :: 120.69(4.18) 1.H131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 C 0.33 W 0.31 C Shift Assignments>> C :: 174.360 CA :: 56.611 CB :: 31.043 CD2 :: 118.894 CE1 :: 138.800 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 :: 8.868 HA :: 4.558 HB2 :: 3.325 HB3 :: 3.235 HD2 :: 7.217 HE1 :: 7.877 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 :: 124.474 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.539 CA :: 66.474 CB :: 32.498 CG :: 27.606 CD :: 50.054 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 :: 4.227 HB2 :: 2.387 HB3 :: 1.995 HG2 :: 1.892 HG3 :: 1.892 HD2 :: 2.375(S) HD3 :: 3.580 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.V133 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 :: 177.931 CA :: 65.716 CB :: 31.544 CG1 :: 21.542 CG2 :: 22.799 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 :: 10.025 HA :: 4.360 HB :: 2.316 HG11 :: 0.918 HG12 :: 0.918 HG13 :: 0.918 HG21 :: 1.272 HG22 :: 1.272 HG23 :: 1.272 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 :: 120.167 Ave N Shift Values>> N :: 121.02(4.96) 1.N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 F 0.15 E 0.15 I 0.13 M 0.02 D 0.01 N 0.01 C Shift Assignments>> C :: 177.287 CA :: 58.292 CB :: 37.637 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.592 HA :: 4.157 HB2 :: 3.012 HB3 :: 2.832 HD21 :: 8.391 HD22 :: 7.272 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 :: 118.125 ND2 :: 113.147 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.085 CA :: 63.586 CB :: 38.562 CD1 :: 133.902 CD2 :: 133.902 CE1 :: 117.320 CE2 :: 117.320 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 :: 9.706 HA :: 3.866 HB2 :: 3.033 HB3 :: 3.342 HD1 :: 7.211 HD2 :: 7.211 HE1 :: 6.753 HE2 :: 6.753 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 :: 119.711 Ave N Shift Values>> N :: 120.79(4.69) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 C 0.17 L 0.08 I 0.07 K 0.07 D 0.06 N 0.01 HN Overlap>> 1.I164 1.R178 1.I164 1.R178 C Shift Assignments>> C :: 179.926 CA :: 57.921 CB :: 40.305 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 :: 8.583 HA :: 4.298 HB2 :: 3.119 HB3 :: 2.482 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 :: 120.030 Ave N Shift Values>> N :: 120.73(4.2) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.L170 1.L170 C Shift Assignments>> C :: 176.849 CA :: 66.996 CB :: 31.476 CG1 :: 22.954 CG2 :: 24.717 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 :: 8.427 HA :: 3.723 HB :: 2.316 HG11 :: 1.340 HG12 :: 1.340 HG13 :: 1.340 HG21 :: 1.365 HG22 :: 1.365 HG23 :: 1.365 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 :: 118.681 Ave N Shift Values>> N :: 121.02(4.96) 1.F138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 HN Overlap>> 1.A159 1.A159 C Shift Assignments>> C :: 175.748 CA :: 61.423 CB :: 39.695 CD1 :: 130.931 CD2 :: 130.931 CE1 :: 130.481 CE2 :: 130.481 CZ :: 128.479 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 :: 9.192 HA :: 4.180 HB2 :: 3.206 HB3 :: 2.944 HD1 :: 6.692 HD2 :: 6.692 HE1 :: 6.336 HE2 :: 6.336 HZ :: 6.154 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 :: 122.369 Ave N Shift Values>> N :: 120.69(4.18) 1.R139 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.36 R 0.29 G 0.13 K 0.13 L 0.06 C Shift Assignments>> C :: 178.853 CA :: 59.006 CB :: 29.323 CG :: 25.453 CD :: 43.744 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 :: 8.818 HA :: 1.926(A) HB2 :: 1.651 HB3 :: 0.516(S) HG2 :: 0.995 HG3 :: 0.420(S) HD2 :: 2.936 HD3 :: 2.989 HE :: 7.456 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 :: 118.668 NE :: 82.581 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.Y140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 178.397 CA :: 62.460 CB :: 40.018 CD1 :: 133.100 CD2 :: 133.100 CE1 :: 118.363 CE2 :: 118.363 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 :: 7.937 HA :: 3.904 HB2 :: 3.172 HB3 :: 3.172 HD1 :: 6.881 HD2 :: 6.881 HE1 :: 6.615 HE2 :: 6.615 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.065 Ave N Shift Values>> N :: 120.79(4.69) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.808 CA :: 66.772 CB :: 31.996 CG1 :: 20.013 CG2 :: 24.165 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 :: 8.720 HA :: 3.456 HB :: 1.908 HG11 :: 0.483 HG12 :: 0.483 HG13 :: 0.483 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 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 :: 119.839 Ave N Shift Values>> N :: 121.02(4.96) 1.I142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.83 V 0.15 C Shift Assignments>> C :: 177.583 CA :: 61.378 CB :: 33.004 CG1 :: 25.916 CG2 :: 19.947 CD1 :: 7.339 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 :: 8.722 HA :: 3.359 HB :: 1.580 HG12 :: 0.764 HG13 :: -0.277(S) HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 HD11 :: 0.238 HD12 :: 0.238 HD13 :: 0.238 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 :: 120.084 Ave N Shift Values>> N :: 121.6(4.72) 1.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.K88 1.K88 C Shift Assignments>> C :: 176.470 CA :: 67.337 CB :: 68.911 CG2 :: 19.958 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 :: 8.000 HA :: 4.380 HB :: 4.202 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.343 Ave N Shift Values>> N :: 115.7(5.05) 1.H144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.4 H 0.05 C Shift Assignments>> C :: 176.322 CA :: 59.090 CB :: 27.590 CD2 :: 127.968 CE1 :: 136.063 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.303 HA :: 4.421 HB2 :: 3.271 HB3 :: 2.747 HD2 :: 6.412 HE1 :: 7.253 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.138 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L145 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 L 0.45 A 0.01 C Shift Assignments>> C :: 178.934 CA :: 57.401 CB :: 40.220 CG :: 25.685 CD1 :: 23.919 CD2 :: 22.373 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 :: 8.578 HA :: 3.615 HB2 :: 1.723 HB3 :: 1.070 HG :: 1.619 HD11 :: -0.242(S) HD12 :: -0.242(S) HD13 :: -0.242(S) HD21 :: 0.211 HD22 :: 0.211 HD23 :: 0.211 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.914 Ave N Shift Values>> N :: 121.98(4.07) 1.N146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.26 C 0.19 I 0.09 D 0.06 L 0.05 K 0.02 N 0.01 E 0.01 HN Overlap>> 1.Q196 1.Q196 C Shift Assignments>> C :: 178.582 CA :: 57.884 CB :: 39.713 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 :: 9.099 HA :: 4.186 HB2 :: 3.035 HB3 :: 3.152 HD21 :: 7.286 HD22 :: 8.282 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.131 ND2 :: 113.582 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.39 G 0.12 K 0.05 C Shift Assignments>> C :: 179.848 CA :: 60.976 CB :: 29.265 CG :: 28.409 CD :: 43.197 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 :: 8.071 HA :: 3.920 HB2 :: 2.181 HB3 :: 1.870 HG2 :: 1.547 HG3 :: 1.862 HD2 :: 3.239 HD3 :: 3.140 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.318 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.V148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.F65 1.E192 1.F65 1.E192 C Shift Assignments>> C :: 179.565 CA :: 67.282 CB :: 31.478 CG1 :: 23.484 CG2 :: 22.587 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 :: 8.257 HA :: 3.394 HB :: 2.367 HG11 :: 1.049 HG12 :: 1.049 HG13 :: 1.049 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 :: 120.078 Ave N Shift Values>> N :: 121.02(4.96) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.926 CA :: 60.855 CB :: 63.093 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.438 HA :: 5.096 HB2 :: 4.021 HB3 :: 3.915 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 :: 116.415 Ave N Shift Values>> N :: 116.3(3.95) 1.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.24 E 0.1 R 0.08 M 0.02 I 0.02 C Shift Assignments>> C :: 178.674 CA :: 58.022 CB :: 28.256 CG :: 33.787 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 :: 7.750 HA :: 4.410 HB2 :: 2.196 HB3 :: 2.333 HG2 :: 2.627 HG3 :: 2.715 HE21 :: 7.147 HE22 :: 6.933 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 :: 122.138 NE2 :: 112.244 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 R 0.22 K 0.21 Q 0.19 M 0.02 E 0.01 C Shift Assignments>> C :: 177.026 CA :: 53.873 CB :: 27.173 CG :: 32.733 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 :: 7.747 HA :: 4.731 HB2 :: 1.869 HB3 :: 2.690 HG2 :: 2.313 HG3 :: 2.313 HE21 :: 7.389 HE22 :: 6.737 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 :: 116.344 NE2 :: 112.199 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.41 C 0.31 H 0.27 C Shift Assignments>> C :: 177.242 CA :: 59.083 CB :: 28.634 CE1 :: 138.315 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.533 HA :: 4.705 HB2 :: 2.887 HB3 :: 3.524 HD2 :: 7.265 HE1 :: 7.742 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 :: 120.339 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.22 M 0.01 HN Overlap>> 1.F130 1.F130 C Shift Assignments>> C :: 176.923 CA :: 59.113 CB :: 31.676 CG :: 25.496 CD :: 28.929 CE :: 41.927 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 :: 8.062 HA :: 3.869 HB2 :: 1.486 HB3 :: 1.656 HG2 :: 1.113 HG3 :: 1.155 HD2 :: 1.580 HD3 :: 1.628 HE2 :: 2.978 HE3 :: 2.978 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 :: 121.798 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 HN Overlap>> 1.T117 1.T117 C Shift Assignments>> C :: 176.116 CA :: 62.023 CB :: 39.847 CG1 :: 27.926 CG2 :: 18.114 CD1 :: 12.962 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 :: 7.829 HA :: 4.179 HB :: 1.837 HG12 :: 1.159 HG13 :: 1.507 HG21 :: 1.032 HG22 :: 1.032 HG23 :: 1.032 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 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 :: 115.284 Ave N Shift Values>> N :: 121.6(4.72) 1.N155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.17 D 0.16 Y 0.09 F 0.07 L 0.03 E 0.02 C Shift Assignments>> C :: 176.056 CA :: 53.529 CB :: 38.530 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 :: 8.246 HA :: 4.315 HB2 :: 3.434 HB3 :: 2.265 HD21 :: 8.058 HD22 :: 7.109 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 :: 114.679 ND2 :: 111.569 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.34 A 0.03 C Shift Assignments>> C :: 177.794 CA :: 57.166 CB :: 39.321 CG :: 27.336 CD1 :: 25.602 CD2 :: 22.027 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 :: 8.040 HA :: 4.280 HB2 :: 2.329 HB3 :: 1.719 HG :: 1.461 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 112.261 Ave N Shift Values>> N :: 121.98(4.07) 1.M157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 A 0.38 M 0.02 C Shift Assignments>> C :: 173.549 CA :: 52.908 CB :: 26.938 CG :: 29.473 CE :: 15.672 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 :: 9.386 HA :: 5.086 HB2 :: 2.022 HB3 :: 1.557 HG2 :: 2.575 HG3 :: 3.427 HE1 :: 1.961 HE2 :: 1.961 HE3 :: 1.961 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.190 Ave N Shift Values>> N :: 120.1(3.88) 1.T158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 175.159 CA :: 60.800 CB :: 71.054 CG2 :: 22.724 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 :: 6.659 HA :: 4.138 HB :: 4.505 HG21 :: 1.085 HG22 :: 1.085 HG23 :: 1.085 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 :: 107.520 Ave N Shift Values>> N :: 115.7(5.05) 1.A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.16 I 0.11 C 0.04 V 0.02 HN Overlap>> 1.F138 1.F138 C Shift Assignments>> C :: 179.183 CA :: 56.541 CB :: 18.188 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.244 HA :: 3.990 HB1 :: 1.653 HB2 :: 1.653 HB3 :: 1.653 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.316 Ave N Shift Values>> N :: 123.23(3.7) 1.D160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 K 0.15 C 0.14 L 0.13 D 0.09 I 0.04 R 0.03 N 0.01 C Shift Assignments>> C :: 177.539 CA :: 57.364 CB :: 40.915 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 :: 8.702 HA :: 4.361 HB2 :: 2.790 HB3 :: 2.451 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 :: 116.978 Ave N Shift Values>> N :: 120.73(4.2) 1.N161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.2 F 0.13 N 0.12 E 0.12 D 0.06 I 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 179.397 CA :: 55.932 CB :: 37.848 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.582 HA :: 4.577 HB2 :: 2.786 HB3 :: 3.015 HD21 :: 7.570 HD22 :: 7.228 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 :: 118.394 ND2 :: 110.236 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 L 0.32 R 0.26 G 0.04 K 0.02 C Shift Assignments>> C :: 178.763 CA :: 58.000 CB :: 42.852 CG :: 27.354 CD1 :: 27.409 CD2 :: 23.598 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 :: 8.848 HA :: 4.115 HB2 :: 2.021 HB3 :: 1.204 HG :: 1.636 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 1.043 HD22 :: 1.043 HD23 :: 1.043 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 :: 121.227 Ave N Shift Values>> N :: 121.98(4.07) 1.S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.020 CA :: 61.685 CB :: 62.590 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.657 HA :: 4.186 HB2 :: 4.551 HB3 :: 3.924 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.528 Ave N Shift Values>> N :: 116.3(3.95) 1.I164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 HN Overlap>> 1.D136 1.D59 1.D136 1.D59 1.R178 1.R178 C Shift Assignments>> C :: 177.174 CA :: 67.069 CB :: 38.622 CG1 :: 30.171 CG2 :: 17.074 CD1 :: 14.005 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 :: 8.520 HA :: 3.758 HB :: 2.096 HG12 :: 1.977 HG13 :: 1.078 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 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 :: 119.961 Ave N Shift Values>> N :: 121.6(4.72) 1.C165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 P 0.15 C 0.13 W 0.09 R 0.05 K 0.04 E 0.03 Q 0.02 H 0.02 V 0.02 C Shift Assignments>> C :: 175.982 CA :: 61.562 CB :: 28.181 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.177 HA :: 4.276 HB2 :: 3.173 HB3 :: 2.628 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 :: 111.888 Ave N Shift Values>> N :: 119.95(4.79) 1.F166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.28 G 0.03 HN Overlap>> 1.S6 1.Q64 1.S6 1.Q64 C Shift Assignments>> C :: 177.618 CA :: 61.240 CB :: 42.345 CD1 :: 130.145 CD2 :: 130.145 CE1 :: 131.338 CE2 :: 131.338 CZ :: 129.703 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 :: 8.420 HA :: 4.498 HB2 :: 2.972 HB3 :: 2.714 HD1 :: 7.037 HD2 :: 7.037 HE1 :: 6.578 HE2 :: 6.578 HZ :: 6.531 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.568 Ave N Shift Values>> N :: 120.69(4.18) 1.W167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> C :: 175.230 CA :: 63.842 CB :: 26.924 CD1 :: 128.294 CE3 :: 121.360 CZ2 :: 114.953 CZ3 :: 120.668 CH2 :: 123.723 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 :: 10.701 HA :: 4.473 HB2 :: 3.589 HB3 :: 3.507 HD1 :: 7.510 HE1 :: 10.871 HE3 :: 7.392 HZ2 :: 7.567 HZ3 :: 6.607 HH2 :: 6.985 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 :: 125.562 NE1 :: 130.304 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P168 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 179.325 CA :: 65.482 CB :: 30.614 CG :: 27.520 CD :: 50.589 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.582 HB2 :: 1.446 HB3 :: 1.679 HG2 :: -0.310(S) HG3 :: 1.402 HD2 :: 2.837 HD3 :: 2.572 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.T169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.613 CA :: 65.965 CB :: 68.912 CG2 :: 23.112 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 :: 7.089 HA :: 4.004 HB :: 4.129 HG21 :: 1.325 HG22 :: 1.325 HG23 :: 1.325 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 :: 112.977 Ave N Shift Values>> N :: 115.7(5.05) 1.L170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.36 R 0.06 A 0.05 G 0.03 HN Overlap>> 1.V137 1.V137 C Shift Assignments>> C :: 174.990 CA :: 57.011 CB :: 42.544 CG :: 26.253 CD1 :: 25.231 CD2 :: 21.247 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 :: 8.371 HA :: 4.269 HB2 :: 1.891 HB3 :: 1.438 HG :: 2.189 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.615 HD22 :: 0.615 HD23 :: 0.615 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.679 Ave N Shift Values>> N :: 121.98(4.07) 1.M171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 M 0.16 A 0.09 C Shift Assignments>> C :: 173.422 CA :: 56.521 CB :: 35.232 CG :: 35.232 CE :: 16.662 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 :: 8.217 HA :: 4.513 HB2 :: 1.949 HB3 :: 1.949 HG2 :: 2.239 HG3 :: 2.450 HE1 :: 1.367 HE2 :: 1.367 HE3 :: 1.367 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 :: 112.929 Ave N Shift Values>> N :: 120.1(3.88) 1.R172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 G 0.17 K 0.02 L 0.01 C Shift Assignments>> CA :: 55.784 CB :: 30.252 CG :: 27.044 CD :: 44.037 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 :: 7.421 HA :: 4.211 HB2 :: 1.948 HB3 :: 1.948 HG2 :: 1.638 HG3 :: 1.923 HD2 :: 3.371 HD3 :: 3.168 HE :: 8.040 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.280 NE :: 85.634 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.P173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.044 CA :: 62.764 CB :: 32.534 CG :: 27.378 CD :: 50.559 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 :: 4.635 HB2 :: 1.971 HB3 :: 1.326 HG2 :: 1.638 HG3 :: 1.638 HD2 :: 3.839 HD3 :: 3.544 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.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.23 L 0.13 C 0.11 F 0.06 Y 0.05 K 0.04 HN Overlap>> 1.L98 1.L98 C Shift Assignments>> C :: 176.516 CA :: 53.015 CB :: 40.562 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 :: 8.444 HA :: 4.597 HB2 :: 2.765 HB3 :: 2.563 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 :: 119.533 Ave N Shift Values>> N :: 120.73(4.2) 1.F175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 176.359 CA :: 58.805 CB :: 39.007 CD1 :: 131.585 CD2 :: 131.585 CE1 :: 129.924 CE2 :: 129.924 CZ :: 129.417 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 :: 8.151 HA :: 4.230 HB2 :: 3.141 HB3 :: 2.915 HD1 :: 7.161 HD2 :: 7.161 HE1 :: 7.224 HE2 :: 7.224 HZ :: 7.053 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 :: 122.278 Ave N Shift Values>> N :: 120.69(4.18) 1.E176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.09 K 0.09 M 0.04 Q 0.03 C Shift Assignments>> C :: 176.719 CA :: 57.115 CB :: 29.584 CG :: 36.552 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 :: 8.363 HA :: 4.201 HB2 :: 2.007 HB3 :: 2.106 HG2 :: 2.192 HG3 :: 2.253 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 :: 118.453 Ave N Shift Values>> N :: 120.68(3.68) 1.N177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.21 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 176.010 CA :: 53.468 CB :: 39.037 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.918 HA :: 4.684 HB2 :: 2.827 HB3 :: 3.001 HD21 :: 7.932 HD22 :: 7.015 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 :: 118.386 ND2 :: 113.864 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.09 G 0.06 L 0.01 HN Overlap>> 1.D136 1.I164 1.D136 1.I164 C Shift Assignments>> C :: 177.180 CA :: 57.776 CB :: 30.190 CG :: 27.213 CD :: 43.281 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 :: 8.527 HA :: 4.213 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.692 HG3 :: 1.692 HD2 :: 3.209 HD3 :: 3.209 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 :: 120.008 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.E179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.1 K 0.09 M 0.03 Q 0.03 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 177.262 CA :: 57.503 CB :: 29.448 CG :: 36.441 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 :: 8.532 HA :: 4.227 HB2 :: 1.895 HB3 :: 2.002 HG2 :: 2.129 HG3 :: 2.206 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 :: 119.806 Ave N Shift Values>> N :: 120.68(3.68) 1.F180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.37 C 0.24 C Shift Assignments>> C :: 177.023 CA :: 59.472 CB :: 39.308 CD1 :: 131.767 CD2 :: 131.767 CE1 :: 129.810 CE2 :: 129.810 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 :: 8.057 HA :: 4.497 HB2 :: 3.195 HB3 :: 3.195 HD1 :: 7.241 HD2 :: 7.241 HE1 :: 7.224 HE2 :: 7.224 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 :: 120.005 Ave N Shift Values>> N :: 120.69(4.18) 1.L181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 R 0.07 C Shift Assignments>> C :: 178.441 CA :: 56.748 CB :: 41.828 CG :: 27.163 CD1 :: 25.013 CD2 :: 23.602 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 :: 8.176 HA :: 4.175 HB2 :: 1.755 HB3 :: 1.619 HG :: 1.690 HD11 :: 0.949 HD12 :: 0.949 HD13 :: 0.949 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 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 :: 121.599 Ave N Shift Values>> N :: 121.98(4.07) 1.S182 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 6.984 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.T183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.87 V 0.12 C Shift Assignments>> CB :: 68.755 CG2 :: 22.137 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 :: 7.565 HA :: 3.967 HB :: 4.317 HG21 :: 1.274 HG22 :: 1.274 HG23 :: 1.274 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) 1.T184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 62.209 CB :: 69.566 CG2 :: 21.427 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 :: 7.901 HA :: 4.483 HB :: 4.329 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 112.462 Ave N Shift Values>> N :: 115.7(5.05) 1.K185 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.74 C 0.25 C Shift Assignments>> CA :: 63.342 CB :: 36.414 CG1 :: 27.722 CG2 :: 19.243 CD1 :: 11.812 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 :: 7.661 HA :: 3.735 HB :: 1.768 HG12 :: 1.144 HG13 :: 1.399 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 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) 1.H187 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> W 0.44 C 0.4 H 0.15 C Shift Assignments>> C :: 176.917 CA :: 61.317 CB :: 27.721 CE1 :: 138.294 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.512 HA :: 3.478 HB2 :: 1.406(S) HB3 :: 2.025 HD2 :: 6.738 HE1 :: 7.519 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) 1.Q188 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.26 K 0.26 Q 0.21 R 0.11 M 0.07 E 0.05 C Shift Assignments>> C :: 179.892 CA :: 58.150 CB :: 29.057 CG :: 32.881 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 :: 7.335 HA :: 3.553 HB2 :: 1.992 HB3 :: 1.921 HG2 :: 2.269 HG3 :: 2.416 HE21 :: 6.772 HE22 :: 8.730(S) 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 :: 116.357 NE2 :: 116.150 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.230 CA :: 61.053 CB :: 62.887 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.951 HA :: 4.469 HB2 :: 4.011 HB3 :: 4.011 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 :: 116.444 Ave N Shift Values>> N :: 116.3(3.95) 1.V190 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 :: 176.933 CA :: 67.472 CB :: 31.550 CG1 :: 22.125 CG2 :: 24.344 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 :: 8.200 HA :: 3.395 HB :: 2.310 HG11 :: 0.929 HG12 :: 0.929 HG13 :: 0.929 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.676 Ave N Shift Values>> N :: 121.02(4.96) 1.V191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> 1.I71 1.I71 C Shift Assignments>> C :: 177.013 CA :: 68.165 CB :: 30.839 CG1 :: 21.790 CG2 :: 24.778 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 :: 7.265 HA :: 3.839 HB :: 2.666 HG11 :: 0.978 HG12 :: 0.978 HG13 :: 0.978 HG21 :: 1.191 HG22 :: 1.191 HG23 :: 1.191 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 :: 117.153 Ave N Shift Values>> N :: 121.02(4.96) 1.E192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.27 I 0.16 K 0.08 Q 0.07 M 0.04 HN Overlap>> 1.V148 1.V148 C Shift Assignments>> C :: 177.572 CA :: 60.656 CB :: 30.042 CG :: 35.287 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 :: 8.294 HA :: 3.750 HB2 :: 2.122 HB3 :: 2.484 HG2 :: 2.039 HG3 :: 2.039 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 :: 120.150 Ave N Shift Values>> N :: 120.68(3.68) 1.T193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.N81 1.N81 C Shift Assignments>> C :: 176.409 CA :: 67.374 CB :: 68.192 CG2 :: 22.068 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 :: 8.188 HA :: 4.003 HB :: 4.245 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.400 Ave N Shift Values>> N :: 115.7(5.05) 1.F194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 175.717 CA :: 62.441 CB :: 38.357 CD1 :: 131.254 CD2 :: 131.254 CE1 :: 129.841 CE2 :: 129.841 CZ :: 128.217 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.877 HA :: 4.310 HB2 :: 2.991 HB3 :: 2.808 HD1 :: 6.757 HD2 :: 6.757 HE1 :: 6.438 HE2 :: 6.438 HZ :: 6.694 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.955 Ave N Shift Values>> N :: 120.69(4.18) 1.I195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.803 CA :: 66.284 CB :: 38.903 CG1 :: 29.048 CG2 :: 16.382 CD1 :: 15.500 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 :: 7.665 HA :: 3.605 HB :: 1.975 HG12 :: 0.675 HG13 :: 2.118 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 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 :: 113.657 Ave N Shift Values>> N :: 121.6(4.72) 1.Q196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.21 M 0.1 E 0.09 R 0.04 I 0.01 HN Overlap>> 1.N146 1.N146 C Shift Assignments>> C :: 179.166 CA :: 58.883 CB :: 29.964 CG :: 33.239 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.018 HA :: 4.185 HB2 :: 2.204 HB3 :: 2.054 HG2 :: 2.412 HG3 :: 2.296 HE21 :: 7.500 HE22 :: 6.816 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.185 NE2 :: 112.159 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.29 R 0.17 M 0.07 C Shift Assignments>> C :: 174.378 CA :: 53.154 CB :: 24.634 CG :: 30.839 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 :: 8.469 HA :: 4.774 HB2 :: 1.960 HB3 :: 2.273 HG2 :: 2.450 HG3 :: 2.306 HE21 :: 7.649 HE22 :: 7.741 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 :: 112.982 NE2 :: 111.210 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.37 C 0.08 W 0.04 R 0.02 V 0.02 K 0.01 E 0.01 C Shift Assignments>> C :: 175.555 CA :: 62.859 CB :: 27.871 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.943 HA :: 4.312 HB2 :: 3.335 HB3 :: 3.022 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 :: 121.227 Ave N Shift Values>> N :: 119.95(4.79) 1.Q199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.21 Q 0.21 E 0.11 R 0.06 I 0.05 M 0.01 P 0.01 C Shift Assignments>> C :: 179.823 CA :: 59.573 CB :: 28.393 CG :: 33.969 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.014 HA :: 4.331 HB2 :: 2.122 HB3 :: 2.199 HG2 :: 2.536 HG3 :: 2.536 HE21 :: 7.619 HE22 :: 6.564 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 :: 116.046 NE2 :: 112.178 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.31 F 0.17 C Shift Assignments>> C :: 176.558 CA :: 60.333 CB :: 38.984 CE1 :: 128.595 CE2 :: 128.595 CZ :: 131.477 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 :: 8.043 HA :: 4.202 HB2 :: 2.724 HB3 :: 2.724 HD1 :: 6.267 HD2 :: 6.267 HE1 :: 5.995 HE2 :: 5.995 HZ :: 6.768 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 :: 122.863 Ave N Shift Values>> N :: 120.69(4.18) 1.F201 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.65 C 0.34 HN Overlap>> 1.N81 1.N81 C Shift Assignments>> C :: 177.708 CA :: 63.151 CB :: 39.115 CD1 :: 131.159 CD2 :: 131.159 CE1 :: 128.952 CE2 :: 128.952 CZ :: 131.395 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 :: 8.109 HA :: 3.473 HB2 :: 2.137 HB3 :: 1.654(S) HD1 :: 6.943 HD2 :: 6.943 HE1 :: 6.760 HE2 :: 6.760 HZ :: 7.263 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.317 Ave N Shift Values>> N :: 120.69(4.18) 1.F202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.36 C 0.25 C Shift Assignments>> C :: 175.690 CA :: 58.180 CB :: 41.034 CD1 :: 131.299 CD2 :: 131.299 CE1 :: 128.675 CE2 :: 128.675 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 :: 8.127 HA :: 4.774 HB2 :: 2.419 HB3 :: 2.351 HD1 :: 6.760 HD2 :: 6.760 HE1 :: 6.523 HE2 :: 6.523 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 111.060 Ave N Shift Values>> N :: 120.69(4.18) 1.Y203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 175.384 CA :: 56.978 CB :: 38.634 CD1 :: 134.107 CD2 :: 134.107 CE1 :: 117.337 CE2 :: 117.337 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 :: 7.598 HA :: 4.938 HB2 :: 3.528 HB3 :: 2.766 HD1 :: 7.174 HD2 :: 7.174 HE1 :: 6.760 HE2 :: 6.760 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 :: 117.148 Ave N Shift Values>> N :: 120.79(4.69) 1.N204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.26 E 0.12 Y 0.11 F 0.06 D 0.05 M 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 175.186 CA :: 54.400 CB :: 37.240 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 :: 8.591 HA :: 4.373 HB2 :: 3.076 HB3 :: 2.771 HD21 :: 6.883 HD22 :: 7.655 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.932 ND2 :: 114.141 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.25 G 0.25 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.182 CA :: 44.038 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.058 HA2 :: 4.445 HA3 :: 3.367 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.211 Ave N Shift Values>> N :: 109.91(4.29) 1.E206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 M 0.16 K 0.05 Q 0.03 I 0.02 HN Overlap>> 1.L108 1.L108 C Shift Assignments>> C :: 177.549 CA :: 55.459 CB :: 30.812 CG :: 36.318 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 :: 8.242 HA :: 4.409 HB2 :: 2.026 HB3 :: 1.791 HG2 :: 2.303 HG3 :: 2.359 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.924 Ave N Shift Values>> N :: 120.68(3.68) 1.I207 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 176.481 CA :: 63.344 CB :: 38.666 CG1 :: 29.607 CG2 :: 16.961 CD1 :: 13.305 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 :: 8.668 HA :: 3.448 HB :: 1.391 HG12 :: -0.313(S) HG13 :: 1.177 HG21 :: 0.448 HG22 :: 0.448 HG23 :: 0.448 HD11 :: 0.322 HD12 :: 0.322 HD13 :: 0.322 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 :: 124.614 Ave N Shift Values>> N :: 121.6(4.72) 1.V208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.38 C Shift Assignments>> C :: 176.095 CA :: 61.162 CB :: 33.459 CG1 :: 21.407 CG2 :: 19.600 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 :: 9.040 HA :: 4.356 HB :: 2.134 HG11 :: 0.965 HG12 :: 0.965 HG13 :: 0.965 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 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 :: 127.042 Ave N Shift Values>> N :: 121.02(4.96) 1.E209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.1 M 0.09 K 0.04 Q 0.02 C Shift Assignments>> C :: 180.817 CA :: 58.672 CB :: 30.771 CG :: 36.390 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 :: 8.374 HA :: 3.844 HB2 :: 1.825 HB3 :: 1.950 HG2 :: 2.141 HG3 :: 2.202 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 :: 130.540 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 194 #Clerical: 0 #Suspicious: 13 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 206 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 206 #Suspicious: 3 C Shift Results: #Consistent: 954 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1496 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 1 N Shift Results: #Consistent: 215 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y49 SRO Rule Break>> HA > HB2 : 0.992304403591278 1.Q62 HG2 = 1.312(S), Expected = 2.32, Std = 0.2900, ChiSquare = 5.0921e-04 1.Q62 HE22 = 5.356(S), Expected = 7.07, Std = 0.4900, ChiSquare = 4.6883e-04 1.P100 HD2 = 2.277(S), Expected = 3.64, Std = 0.3600, ChiSquare = 1.5302e-04 1.Y101 HA = 2.572(S), Expected = 4.63, Std = 0.5600, ChiSquare = 2.3785e-04 1.Y101 SRO Rule Break>> HA > HB2 : 0.992304403591278 1.Y101 SRO Rule Break>> HA > HB3 : 0.996503496503496 1.H104 CE1 = 140.808(A), Expected = 136.05, Std = 3.5800, ChiSquare = 1.8383e-01 1.K124 HD2 = 0.568(S), Expected = 1.61, Std = 0.2500, ChiSquare = 3.0728e-05 1.P132 HD2 = 2.375(S), Expected = 3.64, Std = 0.3600, ChiSquare = 4.4160e-04 1.R139 HA = 1.926(A), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9698e-08 1.R139 HB3 = 0.516(S), Expected = 1.78, Std = 0.2800, ChiSquare = 6.3531e-06 1.R139 HG3 = 0.420(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.7368e-05 1.R139 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.I142 HG13 = -0.277(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.4914e-04 1.L145 HD11 = -0.242(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7815e-04 1.L145 HD12 = -0.242(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7815e-04 1.L145 HD13 = -0.242(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7815e-04 1.P168 HG2 = -0.310(S), Expected = 1.93, Std = 0.3600, ChiSquare = 4.9016e-10 1.H187 HB2 = 1.406(S), Expected = 3.12, Std = 0.4300, ChiSquare = 6.7183e-05 1.Q188 HE22 = 8.730(S), Expected = 7.07, Std = 0.4900, ChiSquare = 7.0467e-04 1.F201 HB3 = 1.654(S), Expected = 2.97, Std = 0.3800, ChiSquare = 5.3388e-04 1.I207 HG12 = -0.313(S), Expected = 1.30, Std = 0.4000, ChiSquare = 5.5187e-05