Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.132 CA :: 58.576 CB :: 64.169 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.428 HA :: 4.570 HB2 :: 3.898 HB3 :: 3.835 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.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.392 CA :: 59.548 CB :: 63.916 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.317 HA :: 4.464 HB2 :: 3.974 HB3 :: 3.819 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 :: 119.460 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 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 171.704 CA :: 45.127 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.090 HA2 :: 4.096 HA3 :: 4.096 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.402 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 E 0.24 Q 0.01 C Shift Assignments>> C :: 175.807 CA :: 55.529 CB :: 33.270 CG :: 36.395 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 :: 8.012 HA :: 4.512 HB2 :: 2.217 HB3 :: 1.920 HG2 :: 2.379 HG3 :: 2.259 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 :: 116.550 Ave N Shift Values>> N :: 120.68(3.68) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.21 A 0.11 R 0.1 G 0.02 C Shift Assignments>> C :: 176.203 CA :: 53.581 CB :: 42.387 CG :: 27.214 CD1 :: 26.065 CD2 :: 22.349 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 :: 8.680 HA :: 5.196 HB2 :: 1.427 HB3 :: 1.849 HG :: 1.811 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.920 Ave N Shift Values>> N :: 121.98(4.07) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 C 0.4 W 0.18 C Shift Assignments>> C :: 173.589 CA :: 57.402 CB :: 30.871 CD2 :: 117.429 CE1 :: 137.238 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 :: 9.504 HA :: 4.027 HB2 :: 3.028 HB3 :: 3.304 HD2 :: 7.507 HE1 :: 7.645 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.592 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 178.287 CA :: 63.971 CB :: 32.019 CG :: 27.443 CD :: 49.894 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 :: 4.193 HB2 :: 1.837 HB3 :: 2.167 HG2 :: 1.776 HG3 :: 1.704 HD2 :: 3.157 HD3 :: 2.087(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 R 0.29 K 0.11 G 0.1 C Shift Assignments>> C :: 173.807 CA :: 57.965 CB :: 28.754 CG :: 29.615 CD :: 43.446 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 :: 10.953(S) HA :: 4.351 HB2 :: 2.082 HB3 :: 1.866 HG2 :: 1.917 HG3 :: 1.534 HD2 :: 3.396 HD3 :: 3.396 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.643 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.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 T 0.21 A 0.06 C Shift Assignments>> C :: 174.877 CA :: 59.419 CB :: 74.160 CG2 :: 20.046 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 :: 7.283 HA :: 4.670 HB :: 4.255 HG21 :: 1.229 HG22 :: 1.229 HG23 :: 1.229 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 :: 110.661 Ave N Shift Values>> N :: 115.7(5.05) 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 0.07 R 0.02 C Shift Assignments>> C :: 176.960 CA :: 45.417 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.702 HA2 :: 3.677 HA3 :: 3.677 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.471 Ave N Shift Values>> N :: 109.91(4.29) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.45 C 0.37 K 0.08 G 0.07 C Shift Assignments>> C :: 177.238 CA :: 59.115 CB :: 30.262 CG :: 26.802 CD :: 43.238 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.469 HA :: 4.097 HB2 :: 1.777 HB3 :: 1.623 HG2 :: 1.507 HG3 :: 1.379 HD2 :: 2.886 HD3 :: 2.791 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.29 A 0.06 C Shift Assignments>> C :: 175.573 CA :: 53.363 CB :: 40.247 CG :: 27.348 CD1 :: 25.488 CD2 :: 23.113 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 :: 8.426 HA :: 4.667 HB2 :: 1.773 HB3 :: 1.721 HG :: 1.255 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 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 :: 117.853 Ave N Shift Values>> N :: 121.98(4.07) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 176.563 CA :: 62.607 CB :: 32.859 CG1 :: 22.408 CG2 :: 22.267 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 :: 7.201 HA :: 4.621 HB :: 1.926 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.890 Ave N Shift Values>> N :: 121.02(4.96) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.807 CA :: 56.959 CB :: 64.610 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.137 HA :: 4.802 HB2 :: 3.726 HB3 :: 3.568 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.682 Ave N Shift Values>> N :: 116.3(3.95) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.31 C 0.15 R 0.01 C Shift Assignments>> C :: 177.340 CA :: 53.341 CB :: 45.099 CG :: 26.751 CD1 :: 25.173 CD2 :: 25.655 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 :: 9.010 HA :: 5.143 HB2 :: 1.631 HB3 :: 1.631 HG :: 1.781 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 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 :: 128.845 Ave N Shift Values>> N :: 121.98(4.07) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S106 1.S106 C Shift Assignments>> C :: 175.917 CA :: 58.191 CB :: 63.748 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.915 HA :: 4.432 HB2 :: 3.924 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 :: 119.087 Ave N Shift Values>> N :: 116.3(3.95) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.87 C 0.05 I 0.05 C Shift Assignments>> CA :: 54.732 CB :: 18.085 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.201 HA :: 4.134 HB1 :: 1.480 HB2 :: 1.480 HB3 :: 1.480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.15 E 0.14 Q 0.13 K 0.13 C 0.12 H 0.12 R 0.11 I 0.05 V 0.01 L 0.01 C Shift Assignments>> C :: 176.561 CA :: 58.037 CB :: 29.329 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.406 HB2 :: 3.151 HB3 :: 2.950 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) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 173.821 CA :: 46.296 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.891 HA2 :: 4.322 HA3 :: 3.579 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.287 Ave N Shift Values>> N :: 109.91(4.29) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.34 K 0.2 G 0.07 C Shift Assignments>> C :: 174.951 CA :: 56.909 CB :: 31.982 CG :: 28.470 CD :: 43.496 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 :: 8.396 HA :: 4.580 HB2 :: 2.174 HB3 :: 2.174 HG2 :: 1.797 HG3 :: 1.616 HD2 :: 3.238 HD3 :: 3.238 HE :: 7.303 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>> NE :: 85.137 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.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 172.117 CA :: 61.797 CB :: 71.753 CG2 :: 21.664 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 :: 8.040 HA :: 5.491 HB :: 3.672 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 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 :: 115.821 Ave N Shift Values>> N :: 115.7(5.05) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.32 C 0.26 L 0.25 K 0.05 A 0.04 G 0.02 R 0.01 C Shift Assignments>> C :: 174.231 CA :: 49.602 CB :: 24.106 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.835 HA :: 5.296 HB1 :: 1.182 HB2 :: 1.182 HB3 :: 1.182 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.450 Ave N Shift Values>> N :: 123.23(3.7) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.19 R 0.16 K 0.12 C Shift Assignments>> C :: 174.095 CA :: 53.606 CB :: 34.395 CG :: 27.122 CD :: 43.495 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 :: 8.542 HA :: 5.474 HB2 :: 1.905 HB3 :: 1.742 HG2 :: 1.676 HG3 :: 1.429 HD2 :: 3.139 HD3 :: 3.139 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 :: 118.558 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.36 R 0.07 G 0.01 C Shift Assignments>> C :: 175.817 CA :: 55.814 CB :: 32.470 CG :: 30.992 CD :: 42.028 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 :: 8.667 HA :: 4.740 HB2 :: 1.766 HB3 :: 1.895 HG2 :: 1.257 HG3 :: 1.257 HD2 :: 3.550 HD3 :: 3.278 HE :: 6.967 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 :: 123.702 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.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.26 K 0.24 E 0.16 R 0.04 I 0.01 C Shift Assignments>> C :: 173.026 CA :: 56.054 CB :: 28.800 CG :: 34.362 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 :: 9.277 HA :: 4.111 HB2 :: 2.240 HB3 :: 2.240 HG2 :: 2.359 HG3 :: 2.269 HE21 :: 7.503 HE22 :: 6.825 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 :: 127.344 NE2 :: 111.496 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.27 E 0.21 K 0.17 R 0.01 C Shift Assignments>> C :: 175.449 CA :: 56.019 CB :: 30.430 CG :: 34.338 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 :: 8.506 HA :: 4.116 HB2 :: 2.125 HB3 :: 1.913 HG2 :: 2.353 HG3 :: 2.265 HE21 :: 6.839 HE22 :: 6.799 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 :: 108.721 NE2 :: 110.431 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.374 CA :: 65.305 CB :: 32.109 CG :: 27.533 CD :: 50.773 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 :: 4.572 HB2 :: 2.139 HB3 :: 2.101 HG2 :: 2.160 HG3 :: 2.015 HD2 :: 4.038 HD3 :: 3.762 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.G32 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 :: 174.494 CA :: 45.350 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.790 HA2 :: 4.243 HA3 :: 3.740 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.726 Ave N Shift Values>> N :: 109.91(4.29) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.24 Q 0.17 K 0.02 C Shift Assignments>> C :: 174.878 CA :: 56.891 CB :: 32.478 CG :: 34.572 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 :: 8.218 HA :: 4.769 HB2 :: 2.323 HB3 :: 2.212 HG2 :: 2.467 HG3 :: 2.389 HE21 :: 7.753 HE22 :: 6.903 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 :: 119.026 NE2 :: 112.976 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Q 0.23 E 0.2 K 0.05 C Shift Assignments>> C :: 176.332 CA :: 54.308 CB :: 31.911 CG :: 34.527 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 :: 8.642 HA :: 4.657 HB2 :: 1.816 HB3 :: 1.816 HG2 :: 2.219 HG3 :: 2.219 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 :: 119.268 Ave N Shift Values>> N :: 120.68(3.68) 1.F35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.37 F 0.35 Y 0.26 C Shift Assignments>> C :: 171.525 CA :: 54.916 CB :: 38.709 CD1 :: 132.492 CD2 :: 132.492 CE1 :: 131.543 CE2 :: 131.543 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 :: 7.835 HA :: 3.712 HB2 :: 1.662(S) HB3 :: -0.192(A) HD1 :: 6.376 HD2 :: 6.376 HE1 :: 7.311 HE2 :: 7.311 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 :: 117.453 Ave N Shift Values>> N :: 120.69(4.18) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.19 D 0.1 Y 0.03 F 0.02 L 0.01 C Shift Assignments>> C :: 172.080 CA :: 51.102 CB :: 38.157 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 :: 6.628 HA :: 5.213 HB2 :: 2.920 HB3 :: 2.235 HD21 :: 7.189 HD22 :: 6.483 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 :: 121.655 ND2 :: 109.229 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.34 C 0.29 HN Overlap>> 1.G90 1.G90 C Shift Assignments>> C :: 176.318 CA :: 58.530 CB :: 28.438 CD2 :: 118.856 CE1 :: 137.477 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 :: 8.013 HA :: 4.195 HB2 :: 3.095 HB3 :: 3.095 HD2 :: 6.675 HE1 :: 8.202 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 :: 107.159 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 175.376 CA :: 45.026 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.624 HA2 :: 3.455 HA3 :: 4.157 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.706 Ave N Shift Values>> N :: 109.91(4.29) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 C 0.3 G 0.26 R 0.11 C Shift Assignments>> C :: 176.664 CA :: 57.200 CB :: 44.496 CG :: 27.862 CD1 :: 25.216 CD2 :: 25.471 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 :: 6.783 HA :: 4.567 HB2 :: 1.814 HB3 :: 1.457 HG :: 1.454 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 HD21 :: 0.611 HD22 :: 0.611 HD23 :: 0.611 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 :: 118.019 Ave N Shift Values>> N :: 121.98(4.07) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.15 V 0.08 C Shift Assignments>> C :: 173.448 CA :: 60.134 CB :: 35.910 CG1 :: 24.571 CG2 :: 20.198 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 :: 9.155 HA :: 4.969 HB :: 2.343 HG11 :: 0.970 HG12 :: 0.970 HG13 :: 0.970 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 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 :: 114.938 Ave N Shift Values>> N :: 121.02(4.96) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 G 0.38 R 0.01 C Shift Assignments>> C :: 177.435 CA :: 54.198 CB :: 46.698 CG :: 29.846 CD1 :: 28.312 CD2 :: 26.299 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 :: 9.846 HA :: 5.746 HB2 :: 1.992 HB3 :: 1.251 HG :: 1.896 HD11 :: 0.544 HD12 :: 0.544 HD13 :: 0.544 HD21 :: 0.681 HD22 :: 0.681 HD23 :: 0.681 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 :: 121.738 Ave N Shift Values>> N :: 121.98(4.07) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.537 CA :: 58.932 CB :: 64.045 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.421 HA :: 4.472 HB2 :: 4.511 HB3 :: 3.083 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 :: 113.755 Ave N Shift Values>> N :: 116.3(3.95) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.37 K 0.12 G 0.09 C Shift Assignments>> C :: 176.771 CA :: 59.392 CB :: 31.017 CG :: 28.491 CD :: 43.491 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 :: 8.627 HA :: 4.186 HB2 :: 1.945 HB3 :: 1.435 HG2 :: 1.889 HG3 :: 1.517 HD2 :: 3.208 HD3 :: 3.208 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 :: 120.137 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.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.29 Q 0.03 K 0.02 C Shift Assignments>> C :: 173.679 CA :: 52.828 CB :: 31.352 CG :: 36.348 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 :: 8.228 HA :: 5.018 HB2 :: 2.161 HB3 :: 1.807 HG2 :: 2.309 HG3 :: 2.309 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.973 Ave N Shift Values>> N :: 120.68(3.68) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.636 CA :: 62.044 CB :: 31.426 CG :: 26.463 CD :: 50.331 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 :: 3.562 HB2 :: 1.348 HB3 :: 0.868 HG2 :: 1.545 HG3 :: 0.848 HD2 :: 3.729 HD3 :: 3.573 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.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 A 0.06 R 0.03 C Shift Assignments>> C :: 177.869 CA :: 54.884 CB :: 40.765 CG :: 27.170 CD1 :: 26.082 CD2 :: 22.629 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 :: 8.856 HA :: 4.202 HB2 :: 1.805 HB3 :: 1.416 HG :: 1.618 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 HD21 :: 0.958 HD22 :: 0.958 HD23 :: 0.958 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 :: 119.918 Ave N Shift Values>> N :: 121.98(4.07) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.32 K 0.11 G 0.09 HN Overlap>> 1.V100 1.V100 C Shift Assignments>> C :: 176.722 CA :: 54.207 CB :: 31.369 CG :: 27.209 CD :: 43.413 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 :: 8.952 HA :: 4.491 HB2 :: 1.633 HB3 :: 1.791 HG2 :: 1.712 HG3 :: 1.668 HD2 :: 3.155 HD3 :: 3.155 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 :: 122.319 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.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.15 F 0.13 C 0.13 Y 0.12 K 0.09 N 0.08 R 0.01 I 0.01 C Shift Assignments>> C :: 178.768 CA :: 55.362 CB :: 40.533 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 :: 8.649 HA :: 4.698 HB2 :: 2.228 HB3 :: 2.428 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 :: 125.722 Ave N Shift Values>> N :: 120.73(4.2) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.529 CA :: 45.759 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.413 HA2 :: 4.574 HA3 :: 3.941 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.759 Ave N Shift Values>> N :: 109.91(4.29) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.29 K 0.1 G 0.08 L 0.04 C Shift Assignments>> C :: 175.483 CA :: 54.071 CB :: 29.893 CG :: 26.712 CD :: 43.249 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 :: 7.708 HA :: 4.591 HB2 :: 1.904 HB3 :: 1.751 HG2 :: 1.546 HG3 :: 1.439 HD2 :: 3.138 HD3 :: 3.138 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 :: 120.362 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 0.8 C 0.19 C Shift Assignments>> C :: 175.713 CA :: 63.124 CB :: 31.575 CG1 :: 21.670 CG2 :: 21.002 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 :: 8.574 HA :: 3.804 HB :: 1.392 HG11 :: 0.357 HG12 :: 0.357 HG13 :: 0.357 HG21 :: -0.031 HG22 :: -0.031 HG23 :: -0.031 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.132 Ave N Shift Values>> N :: 121.02(4.96) 1.F52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> F 0.59 C 0.39 C Shift Assignments>> C :: 173.979 CA :: 58.005 CB :: 40.227 CD1 :: 132.340 CD2 :: 132.340 CE1 :: 130.684 CE2 :: 130.684 CZ :: 128.954 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 :: 9.149 HA :: 4.563 HB2 :: 3.305 HB3 :: 3.014 HD1 :: 7.246 HD2 :: 7.246 HE1 :: 7.072 HE2 :: 7.072 HZ :: 6.902 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 :: 134.543(S) Ave N Shift Values>> N :: 120.69(4.18) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.886 CA :: 62.512 CB :: 69.860 CG2 :: 22.432 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 :: 8.475 HA :: 4.879 HB :: 3.637 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 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 :: 124.712 Ave N Shift Values>> N :: 115.7(5.05) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.14 A 0.07 I 0.01 C Shift Assignments>> C :: 172.682 CA :: 57.630 CB :: 34.468 CG1 :: 22.682 CG2 :: 18.798 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 :: 9.168 HA :: 5.165 HB :: 2.004 HG11 :: 0.883 HG12 :: 0.883 HG13 :: 0.883 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 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 :: 117.627 Ave N Shift Values>> N :: 121.02(4.96) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.31 R 0.12 K 0.05 HN Overlap>> 1.Y111 1.Y111 C Shift Assignments>> C :: 176.133 CA :: 53.304 CB :: 34.465 CG :: 26.875 CD :: 43.835 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.397 HA :: 5.082 HB2 :: 1.894 HB3 :: 1.424 HG2 :: 1.391 HG3 :: 1.391 HD2 :: 3.195 HD3 :: 3.095 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 :: 122.734 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.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 175.119 CA :: 62.409 CB :: 37.299 CG1 :: 27.807 CG2 :: 17.410 CD1 :: 14.644 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 :: 8.571 HA :: 4.069 HB :: 2.206 HG12 :: 1.695 HG13 :: 1.040 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.943 Ave N Shift Values>> N :: 121.6(4.72) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.24 K 0.11 C 0.1 D 0.1 F 0.05 Y 0.04 G 0.02 C Shift Assignments>> C :: 176.587 CA :: 55.518 CB :: 42.986 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 :: 8.846 HA :: 4.806 HB2 :: 2.621 HB3 :: 2.146 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 :: 129.734 Ave N Shift Values>> N :: 120.73(4.2) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.22 R 0.18 G 0.07 C Shift Assignments>> C :: 173.734 CA :: 54.558 CB :: 34.367 CG :: 27.122 CD :: 43.041 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 :: 7.361 HA :: 4.891 HB2 :: 1.726 HB3 :: 1.613 HG2 :: 1.459 HG3 :: 1.395 HD2 :: 3.240 HD3 :: 3.185 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.217 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.K59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 R 0.36 K 0.12 G 0.01 C Shift Assignments>> C :: 176.545 CA :: 53.848 CB :: 37.034 CG :: 25.497 CD :: 30.429 CE :: 41.908 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.297 HA :: 5.773(S) HB2 :: 1.930 HB3 :: 1.482 HG2 :: 1.474 HG3 :: 1.309 HD2 :: 1.911 HD3 :: 1.705 HE2 :: 3.257 HE3 :: 2.906 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.211 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.861 CA :: 60.715 CB :: 34.033 CG1 :: 21.449 CG2 :: 20.659 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 :: 9.422 HA :: 4.555 HB :: 2.231 HG11 :: 0.987 HG12 :: 0.987 HG13 :: 0.987 HG21 :: 1.023 HG22 :: 1.023 HG23 :: 1.023 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 :: 120.548 Ave N Shift Values>> N :: 121.02(4.96) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.2 C 0.17 Y 0.12 F 0.1 L 0.05 E 0.01 I 0.01 C Shift Assignments>> C :: 176.275 CA :: 54.242 CB :: 39.052 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 :: 8.569 HA :: 4.806 HB2 :: 2.720 HB3 :: 2.894 HD21 :: 7.566 HD22 :: 7.008 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 :: 118.928 ND2 :: 112.960 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 172.997 CA :: 59.032 CB :: 62.822 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.273 HA :: 4.051 HB2 :: 3.268 HB3 :: 3.211 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.500 Ave N Shift Values>> N :: 116.3(3.95) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.47 H 0.01 C Shift Assignments>> C :: 175.005 CA :: 55.093 CB :: 32.472 CD1 :: 126.686 CE3 :: 121.524 CZ2 :: 114.701 CZ3 :: 122.556 CH2 :: 124.424 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 :: 6.694 HA :: 4.873 HB2 :: 3.332 HB3 :: 2.624 HD1 :: 6.673 HE1 :: 10.409 HE3 :: 7.594 HZ2 :: 6.835 HZ3 :: 7.036 HH2 :: 7.091 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 116.789 NE1 :: 126.386 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.819 CA :: 58.846 CB :: 63.798 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.582 HA :: 4.593 HB2 :: 3.877 HB3 :: 3.853 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.768 Ave N Shift Values>> N :: 116.3(3.95) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.746 CA :: 44.342 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.403 HA2 :: 4.418 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 :: 111.480 Ave N Shift Values>> N :: 109.91(4.29) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 173.508 CA :: 54.877 CB :: 65.171 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.282 HA :: 5.219 HB2 :: 4.181 HB3 :: 3.840 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 :: 115.568 Ave N Shift Values>> N :: 116.3(3.95) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 172.038 CA :: 61.000 CB :: 40.397 CG1 :: 29.440 CG2 :: 15.162 CD1 :: 14.109 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 :: 8.276 HA :: 4.633 HB :: 2.059 HG12 :: 1.882 HG13 :: 0.996 HG21 :: 1.059 HG22 :: 1.059 HG23 :: 1.059 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.670 Ave N Shift Values>> N :: 121.6(4.72) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.31 K 0.12 E 0.11 R 0.01 C Shift Assignments>> C :: 174.665 CA :: 53.312 CB :: 31.071 CG :: 33.952 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 :: 7.605 HA :: 5.214 HB2 :: 1.973 HB3 :: 1.886 HG2 :: 2.788 HG3 :: 2.440 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.403 Ave N Shift Values>> N :: 120.68(3.68) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.21 G 0.1 C Shift Assignments>> C :: 172.615 CA :: 58.631 CB :: 42.989 CG1 :: 28.389 CG2 :: 16.096 CD1 :: 15.166 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 :: 8.183 HA :: 5.567 HB :: 1.668 HG12 :: 2.333 HG13 :: 1.361 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 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 :: 120.115 Ave N Shift Values>> N :: 121.6(4.72) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 172.439 CA :: 46.092 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.944 HA2 :: 5.258 HA3 :: 3.883 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.400 Ave N Shift Values>> N :: 109.91(4.29) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.07 V 0.06 A 0.03 C Shift Assignments>> C :: 174.206 CA :: 58.311 CB :: 36.831 CG1 :: 23.220 CG2 :: 19.914 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 :: 9.483 HA :: 5.800 HB :: 2.022 HG11 :: 0.740 HG12 :: 0.740 HG13 :: 0.740 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 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 :: 112.859 Ave N Shift Values>> N :: 121.02(4.96) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.14 A 0.01 C Shift Assignments>> C :: 171.823 CA :: 59.820 CB :: 69.825 CG2 :: 19.432 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.446 HA :: 5.647 HB :: 3.881 HG21 :: 1.192 HG22 :: 1.192 HG23 :: 1.192 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.206 Ave N Shift Values>> N :: 115.7(5.05) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> C :: 177.674 CA :: 52.456 CB :: 19.598 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.035 HA :: 5.089 HB1 :: 1.825 HB2 :: 1.825 HB3 :: 1.825 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.150 Ave N Shift Values>> N :: 123.23(3.7) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.26 R 0.11 A 0.06 G 0.03 C Shift Assignments>> C :: 171.769 CA :: 54.558 CB :: 42.472 CG :: 26.191 CD1 :: 26.840 CD2 :: 22.757 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 :: 8.525 HA :: 3.879 HB2 :: 1.617 HB3 :: 0.844 HG :: 1.454 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 HD21 :: 0.695 HD22 :: 0.695 HD23 :: 0.695 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 :: 122.886 Ave N Shift Values>> N :: 121.98(4.07) 1.D75 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.23 D 0.22 C 0.22 L 0.11 N 0.1 R 0.03 K 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.414 CA :: 49.213 CB :: 42.209 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 :: 6.927 HA :: 2.367(A) HB2 :: 2.423 HB3 :: 2.161 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 :: 117.537 Ave N Shift Values>> N :: 120.73(4.2) SRO Rule Breaks>> (HA > HB2 : 0.9995) 1.P76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.702 CA :: 63.374 CB :: 31.373 CG :: 27.110 CD :: 49.492 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 :: 3.508 HB2 :: 1.585 HB3 :: 0.483(S) HG2 :: 1.376 HG3 :: 1.144 HD2 :: 2.027(S) HD3 :: 1.941(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.050 CA :: 61.755 CB :: 63.308 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.478 HA :: 4.031 HB2 :: 3.933 HB3 :: 3.878 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.641 Ave N Shift Values>> N :: 116.3(3.95) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.S62 1.S62 C Shift Assignments>> C :: 175.973 CA :: 60.683 CB :: 33.691 CG1 :: 21.328 CG2 :: 18.910 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 :: 7.211 HA :: 4.338 HB :: 2.179 HG11 :: 0.751 HG12 :: 0.751 HG13 :: 0.751 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 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 :: 111.553 Ave N Shift Values>> N :: 121.02(4.96) 1.L79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 C 0.28 G 0.07 R 0.06 C Shift Assignments>> C :: 175.221 CA :: 56.079 CB :: 43.168 CG :: 26.076 CD1 :: 24.002 CD2 :: 25.741 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 :: 7.030 HA :: 3.783 HB2 :: 1.152 HB3 :: 1.022 HG :: 0.621 HD11 :: 0.037 HD12 :: 0.037 HD13 :: 0.037 HD21 :: -0.246(S) HD22 :: -0.246(S) HD23 :: -0.246(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.801 Ave N Shift Values>> N :: 121.98(4.07) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.28 C 0.12 L 0.11 F 0.05 Y 0.05 K 0.03 C Shift Assignments>> C :: 175.488 CA :: 52.569 CB :: 40.409 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 :: 8.262 HA :: 4.856 HB2 :: 2.607 HB3 :: 2.455 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.221 Ave N Shift Values>> N :: 120.73(4.2) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 C 0.32 Y 0.25 C Shift Assignments>> C :: 174.895 CA :: 58.270 CB :: 38.701 CD1 :: 130.905 CD2 :: 130.905 CE1 :: 131.002 CE2 :: 131.002 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 :: 8.959 HA :: 3.819 HB2 :: 3.074 HB3 :: 2.827 HD1 :: 7.143 HD2 :: 7.143 HE1 :: 6.889 HE2 :: 6.889 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 :: 127.565 Ave N Shift Values>> N :: 120.69(4.18) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.41 C Shift Assignments>> C :: 174.634 CA :: 61.607 CB :: 31.953 CG :: 25.789 CD :: 49.748 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 :: 4.855 HB2 :: 2.257 HB3 :: 2.147 HG2 :: 1.708 HG3 :: 1.521 HD2 :: 3.782 HD3 :: 3.169 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.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.853 CA :: 60.106 CB :: 62.835 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.571 HA :: 3.317 HB2 :: 3.504 HB3 :: 3.311 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.042 Ave N Shift Values>> N :: 116.3(3.95) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.878 CA :: 57.043 CB :: 65.180 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.438 HA :: 4.899 HB2 :: 4.229 HB3 :: 3.749 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.438 Ave N Shift Values>> N :: 116.3(3.95) 1.A85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.84 C 0.06 I 0.05 V 0.01 C Shift Assignments>> C :: 179.126 CA :: 54.999 CB :: 18.543 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.312(S) HA :: 3.752 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.004 Ave N Shift Values>> N :: 123.23(3.7) 1.T86 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 :: 174.634 CA :: 64.246 CB :: 68.428 CG2 :: 21.854 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 :: 7.636 HA :: 3.800 HB :: 4.275 HG21 :: 1.154 HG22 :: 1.154 HG23 :: 1.154 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 :: 107.380 Ave N Shift Values>> N :: 115.7(5.05) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.15 R 0.09 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.557 CA :: 44.830 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.962 HA2 :: 4.202 HA3 :: 3.592 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.008 Ave N Shift Values>> N :: 109.91(4.29) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.32 R 0.05 A 0.01 C Shift Assignments>> C :: 174.558 CA :: 55.301 CB :: 41.159 CG :: 26.879 CD1 :: 26.507 CD2 :: 23.890 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 :: 7.216 HA :: 4.065 HB2 :: 1.866 HB3 :: 1.814 HG :: 1.480 HD11 :: 0.787 HD12 :: 0.787 HD13 :: 0.787 HD21 :: 0.571 HD22 :: 0.571 HD23 :: 0.571 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 :: 120.968 Ave N Shift Values>> N :: 121.98(4.07) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.33 R 0.23 G 0.01 C Shift Assignments>> C :: 176.186 CA :: 54.821 CB :: 32.891 CG :: 25.444 CD :: 29.096 CE :: 42.408 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 :: 8.205 HA :: 4.725 HB2 :: 1.582 HB3 :: 1.820 HG2 :: 1.000 HG3 :: 1.250 HD2 :: 1.572 HD3 :: 1.572 HE2 :: 2.917 HE3 :: 2.917 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.711 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.19 L 0.03 A 0.01 HN Overlap>> 1.H37 1.H37 C Shift Assignments>> C :: 173.241 CA :: 47.085 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.114 HA2 :: 3.730 HA3 :: 3.644 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.132 Ave N Shift Values>> N :: 109.91(4.29) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 172.122 CA :: 46.501 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.192 HA2 :: 4.250 HA3 :: 3.192 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.186 Ave N Shift Values>> N :: 109.91(4.29) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 HN Overlap>> 1.C164 1.C164 C Shift Assignments>> C :: 171.843 CA :: 57.905 CB :: 66.282 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.880 HA :: 5.335 HB2 :: 3.429 HB3 :: 3.332 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 :: 116.638 Ave N Shift Values>> N :: 116.3(3.95) 1.W93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 C Shift Assignments>> C :: 174.357 CA :: 57.752 CB :: 33.625 CD1 :: 124.926 CE3 :: 122.102 CZ2 :: 113.858 CZ3 :: 120.933 CH2 :: 124.053 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.494 HA :: 5.616 HB2 :: 3.123 HB3 :: 2.539 HD1 :: 6.447 HE1 :: 10.482 HE3 :: 7.355 HZ2 :: 7.297 HZ3 :: 6.716 HH2 :: 7.093 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 :: 129.453 NE1 :: 127.461 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.21 I 0.01 HN Overlap>> 1.I167 1.I167 C Shift Assignments>> C :: 172.831 CA :: 60.677 CB :: 37.367 CG1 :: 21.119 CG2 :: 21.786 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 :: 9.021 HA :: 4.390 HB :: 1.648 HG11 :: 0.638 HG12 :: 0.638 HG13 :: 0.638 HG21 :: 0.579 HG22 :: 0.579 HG23 :: 0.579 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 :: 120.182 Ave N Shift Values>> N :: 121.02(4.96) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.401 CA :: 61.071 CB :: 31.552 CG1 :: 21.706 CG2 :: 21.142 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 :: 9.298 HA :: 5.064 HB :: 2.133 HG11 :: 0.829 HG12 :: 0.829 HG13 :: 0.829 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 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 :: 127.117 Ave N Shift Values>> N :: 121.02(4.96) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.039 CA :: 55.844 CB :: 64.179 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.432 HA :: 4.834 HB2 :: 3.484 HB3 :: 3.216 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 :: 119.637 Ave N Shift Values>> N :: 116.3(3.95) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.58 A 0.12 C 0.11 N 0.06 G 0.05 D 0.02 C Shift Assignments>> C :: 174.366 CA :: 48.814 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.156 HA2 :: 3.779 HA3 :: 4.200 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 121.450 Ave N Shift Values>> N :: 109.91(4.29) 1.C98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 Q 0.14 K 0.13 H 0.13 C 0.12 R 0.11 I 0.04 L 0.01 C Shift Assignments>> C :: 173.236 CA :: 57.641 CB :: 29.318 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.143 HA :: 5.139 HB2 :: 3.031 HB3 :: 3.031 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 :: 126.605 Ave N Shift Values>> N :: 119.95(4.79) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.863 CA :: 57.923 CB :: 64.874 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.760 HA :: 5.133 HB2 :: 3.971 HB3 :: 3.971 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.972 Ave N Shift Values>> N :: 116.3(3.95) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 HN Overlap>> 1.R47 1.R47 C Shift Assignments>> C :: 174.756 CA :: 61.269 CB :: 32.417 CG1 :: 20.708 CG2 :: 19.624 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 :: 8.921 HA :: 4.498 HB :: 2.110 HG11 :: 0.673 HG12 :: 0.673 HG13 :: 0.673 HG21 :: 0.699 HG22 :: 0.699 HG23 :: 0.699 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.280 Ave N Shift Values>> N :: 121.02(4.96) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 G 0.24 C 0.22 R 0.12 C Shift Assignments>> C :: 175.771 CA :: 53.869 CB :: 44.191 CG :: 28.117 CD1 :: 25.641 CD2 :: 24.287 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 :: 9.702 HA :: 4.989 HB2 :: 1.808 HB3 :: 0.898 HG :: 1.470 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 HD21 :: 0.651 HD22 :: 0.651 HD23 :: 0.651 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 :: 128.378 Ave N Shift Values>> N :: 121.98(4.07) 1.R102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.3 G 0.17 K 0.1 HN Overlap>> 1.W137 1.W137 C Shift Assignments>> C :: 176.214 CA :: 53.886 CB :: 32.885 CG :: 26.393 CD :: 43.700 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.019 HA :: 4.793 HB2 :: 1.548 HB3 :: 1.032 HG2 :: 0.589(S) HG3 :: 0.009(S) HD2 :: 3.040 HD3 :: 2.903 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.723 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.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 C 0.17 Y 0.17 F 0.16 N 0.15 L 0.08 I 0.02 E 0.01 K 0.01 C Shift Assignments>> C :: 176.160 CA :: 55.443 CB :: 39.408 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.639 HA :: 4.439 HB2 :: 2.653 HB3 :: 2.653 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 :: 130.841 Ave N Shift Values>> N :: 120.73(4.2) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.579 CA :: 45.786 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.069 HA2 :: 3.460 HA3 :: 4.206 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.159 Ave N Shift Values>> N :: 109.91(4.29) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.36 K 0.13 G 0.09 C Shift Assignments>> C :: 175.513 CA :: 54.060 CB :: 32.415 CG :: 27.009 CD :: 43.331 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 :: 7.839 HA :: 4.655 HB2 :: 1.831 HB3 :: 1.733 HG2 :: 1.607 HG3 :: 1.552 HD2 :: 3.179 HD3 :: 3.179 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.342 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.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S20 1.S20 C Shift Assignments>> C :: 176.265 CA :: 59.755 CB :: 62.515 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.915 HA :: 4.531 HB2 :: 3.846 HB3 :: 3.728 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 :: 119.102 Ave N Shift Values>> N :: 116.3(3.95) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 C 0.48 I 0.02 C Shift Assignments>> C :: 175.822 CA :: 61.123 CB :: 33.551 CG1 :: 22.714 CG2 :: 18.965 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 :: 9.601 HA :: 4.636 HB :: 2.434 HG11 :: 1.023 HG12 :: 1.023 HG13 :: 1.023 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 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 :: 120.828 Ave N Shift Values>> N :: 121.02(4.96) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 C 0.27 L 0.24 R 0.08 C Shift Assignments>> C :: 174.503 CA :: 56.461 CB :: 45.041 CG :: 27.643 CD1 :: 26.711 CD2 :: 23.573 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 :: 7.925 HA :: 4.549 HB2 :: 1.678 HB3 :: 1.678 HG :: 1.730 HD11 :: 1.062 HD12 :: 1.062 HD13 :: 1.062 HD21 :: 1.149 HD22 :: 1.149 HD23 :: 1.149 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 :: 125.160 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>> C 0.49 E 0.36 Q 0.09 K 0.03 I 0.01 C Shift Assignments>> C :: 175.662 CA :: 55.781 CB :: 31.916 CG :: 35.580 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 :: 8.358 HA :: 4.853 HB2 :: 1.802 HB3 :: 2.205 HG2 :: 2.351 HG3 :: 2.170 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 :: 123.492 Ave N Shift Values>> N :: 120.68(3.68) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.3 I 0.13 K 0.08 Q 0.01 C Shift Assignments>> C :: 175.311 CA :: 56.670 CB :: 27.949 CG :: 36.836 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 :: 8.516 HA :: 4.065 HB2 :: 2.145 HB3 :: 2.094 HG2 :: 2.184 HG3 :: 2.184 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 :: 116.162 Ave N Shift Values>> N :: 120.68(3.68) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 HN Overlap>> 1.R55 1.R55 C Shift Assignments>> C :: 175.967 CA :: 58.036 CB :: 39.838 CD1 :: 132.848 CD2 :: 132.848 CE1 :: 117.446 CE2 :: 117.446 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 :: 9.357 HA :: 4.444 HB2 :: 2.562 HB3 :: 2.777 HD1 :: 7.008 HD2 :: 7.008 HE1 :: 6.298 HE2 :: 6.298 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.801 Ave N Shift Values>> N :: 120.79(4.69) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.141 CA :: 45.890 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.682 HA2 :: 3.320 HA3 :: 3.320 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.327 Ave N Shift Values>> N :: 109.91(4.29) 1.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.3 E 0.14 K 0.09 C Shift Assignments>> C :: 173.040 CA :: 54.239 CB :: 31.471 CG :: 33.998 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 :: 7.627 HA :: 4.274 HB2 :: 1.868 HB3 :: 1.792 HG2 :: 2.209 HG3 :: 2.014 HE21 :: 7.300 HE22 :: 6.925 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.788 NE2 :: 112.675 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.19 K 0.11 C 0.1 N 0.1 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 179.260 CA :: 54.060 CB :: 41.185 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 :: 8.024 HA :: 4.490 HB2 :: 2.475 HB3 :: 2.929 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 :: 118.585 Ave N Shift Values>> N :: 120.73(4.2) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.31 R 0.15 K 0.03 C Shift Assignments>> C :: 179.326 CA :: 57.495 CB :: 41.148 CG :: 27.164 CD1 :: 27.824 CD2 :: 23.064 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 :: 8.780 HA :: 4.008 HB2 :: 1.793 HB3 :: 2.223 HG :: 2.127 HD11 :: 1.043 HD12 :: 1.043 HD13 :: 1.043 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 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 :: 128.913 Ave N Shift Values>> N :: 121.98(4.07) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.17 C 0.14 D 0.14 L 0.13 K 0.11 N 0.03 I 0.03 R 0.01 C Shift Assignments>> C :: 177.420 CA :: 56.672 CB :: 40.606 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 :: 8.714 HA :: 4.709 HB2 :: 2.687 HB3 :: 2.997 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 :: 116.785 Ave N Shift Values>> N :: 120.73(4.2) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.26 E 0.08 R 0.07 C Shift Assignments>> C :: 176.836 CA :: 55.018 CB :: 29.141 CG :: 33.546 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 :: 7.532 HA :: 4.356 HB2 :: 1.942 HB3 :: 2.395 HG2 :: 2.436 HG3 :: 2.261 HE21 :: 7.880 HE22 :: 6.895 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 :: 114.498 NE2 :: 113.662 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.33 R 0.17 A 0.07 C Shift Assignments>> C :: 177.945 CA :: 55.335 CB :: 41.757 CG :: 27.051 CD1 :: 27.405 CD2 :: 22.289 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 :: 7.016 HA :: 4.351 HB2 :: 1.883 HB3 :: 1.546 HG :: 1.904 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 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 :: 118.539 Ave N Shift Values>> N :: 121.98(4.07) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 G 0.26 L 0.25 C 0.1 D 0.03 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.759 CA :: 44.061 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.333 HA2 :: 3.807 HA3 :: 4.352 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.355 Ave N Shift Values>> N :: 109.91(4.29) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 I 0.25 K 0.04 C Shift Assignments>> C :: 178.330 CA :: 58.405 CB :: 28.881 CG :: 37.363 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 :: 8.702 HA :: 3.792 HB2 :: 1.927 HB3 :: 1.884 HG2 :: 2.336 HG3 :: 1.971 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 :: 117.311 Ave N Shift Values>> N :: 120.68(3.68) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.446 CA :: 45.086 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.745 HA2 :: 4.519 HA3 :: 3.453 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.929 Ave N Shift Values>> N :: 109.91(4.29) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.19 D 0.14 R 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 HN Overlap>> 1.L134 1.L134 C Shift Assignments>> C :: 177.143 CA :: 55.665 CB :: 42.113 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 :: 8.128 HA :: 5.111 HB2 :: 3.204 HB3 :: 2.529 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.056 Ave N Shift Values>> N :: 120.73(4.2) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.34 G 0.13 K 0.1 HN Overlap>> 1.V130 1.V130 C Shift Assignments>> C :: 175.160 CA :: 54.067 CB :: 32.971 CG :: 26.796 CD :: 43.495 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 :: 8.755 HA :: 5.596 HB2 :: 1.699 HB3 :: 1.505 HG2 :: 1.712 HG3 :: 1.660 HD2 :: 3.232 HD3 :: 2.987 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 :: 117.533 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.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 172.746 CA :: 59.180 CB :: 34.489 CG1 :: 22.185 CG2 :: 20.621 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 :: 9.345 HA :: 5.435 HB :: 2.011 HG11 :: 1.084 HG12 :: 1.084 HG13 :: 1.084 HG21 :: 1.023 HG22 :: 1.023 HG23 :: 1.023 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.609 Ave N Shift Values>> N :: 121.02(4.96) 1.G125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 172.334 CA :: 44.983 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.845 HA2 :: 3.503 HA3 :: 5.942(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.271 Ave N Shift Values>> N :: 109.91(4.29) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.23 I 0.01 A 0.01 C Shift Assignments>> C :: 172.252 CA :: 58.991 CB :: 36.250 CG1 :: 21.539 CG2 :: 20.320 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 :: 8.865 HA :: 5.366 HB :: 1.905 HG11 :: 1.127 HG12 :: 1.127 HG13 :: 1.127 HG21 :: 1.056 HG22 :: 1.056 HG23 :: 1.056 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 :: 114.049 Ave N Shift Values>> N :: 121.02(4.96) 1.E127 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.198 CA :: 53.767 CB :: 35.981 CG :: 35.557 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 :: 8.546 HA :: 4.658 HB2 :: 2.197 HB3 :: 1.819 HG2 :: 1.907 HG3 :: 1.850 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 :: 123.822 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) 1.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.3 K 0.16 G 0.06 C Shift Assignments>> C :: 176.542 CA :: 53.925 CB :: 30.940 CG :: 27.807 CD :: 43.084 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.325 HA :: 5.187 HB2 :: 1.624 HB3 :: 1.019 HG2 :: 1.986 HG3 :: 0.964 HD2 :: 3.292 HD3 :: 2.643 HE :: 6.578 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.792 NE :: 85.642 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.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 176.293 CA :: 60.485 CB :: 71.832 CG2 :: 21.203 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.262 HA :: 4.522 HB :: 4.736 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 :: 117.480 Ave N Shift Values>> N :: 115.7(5.05) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.R123 1.R123 C Shift Assignments>> C :: 176.679 CA :: 64.607 CB :: 31.579 CG1 :: 20.868 CG2 :: 21.163 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 :: 8.790 HA :: 3.791 HB :: 2.099 HG11 :: 0.981 HG12 :: 0.981 HG13 :: 0.981 HG21 :: 1.021 HG22 :: 1.021 HG23 :: 1.021 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 :: 117.494 Ave N Shift Values>> N :: 121.02(4.96) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 177.473 CA :: 51.586 CB :: 18.734 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.432 HA :: 4.404 HB1 :: 1.268 HB2 :: 1.268 HB3 :: 1.268 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.554 Ave N Shift Values>> N :: 123.23(3.7) 1.G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 172.870 CA :: 45.903 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.480 HA2 :: 3.172 HA3 :: 3.964 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.342 Ave N Shift Values>> N :: 109.91(4.29) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.25 Q 0.19 K 0.14 C Shift Assignments>> C :: 175.505 CA :: 53.714 CB :: 30.215 CG :: 35.182 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 :: 7.389 HA :: 4.678 HB2 :: 2.181 HB3 :: 1.892 HG2 :: 2.081 HG3 :: 1.886 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.708 Ave N Shift Values>> N :: 120.68(3.68) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.24 C 0.18 R 0.07 A 0.01 HN Overlap>> 1.D122 1.D122 C Shift Assignments>> C :: 175.110 CA :: 53.134 CB :: 44.084 CG :: 27.533 CD1 :: 25.644 CD2 :: 23.943 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 :: 8.201 HA :: 5.082 HB2 :: 1.542 HB3 :: 0.957 HG :: 1.168 HD11 :: 0.628 HD12 :: 0.628 HD13 :: 0.628 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 121.060 Ave N Shift Values>> N :: 121.98(4.07) 1.R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.17 R 0.16 K 0.12 C Shift Assignments>> C :: 173.865 CA :: 55.776 CB :: 34.356 CG :: 27.785 CD :: 43.835 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 :: 8.949 HA :: 4.832 HB2 :: 1.717 HB3 :: 1.578 HG2 :: 1.298 HG3 :: 1.131 HD2 :: 3.172 HD3 :: 3.027 HE :: 6.934 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 :: 126.680 NE :: 84.967 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.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 C 0.29 R 0.23 L 0.08 C Shift Assignments>> C :: 174.779 CA :: 54.041 CB :: 44.617 CG :: 29.648 CD1 :: 26.283 CD2 :: 24.653 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 :: 7.011 HA :: 5.614 HB2 :: 1.947 HB3 :: 1.878 HG :: 1.956 HD11 :: 0.998 HD12 :: 0.998 HD13 :: 0.998 HD21 :: 0.941 HD22 :: 0.941 HD23 :: 0.941 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 :: 122.152 Ave N Shift Values>> N :: 121.98(4.07) 1.W137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.42 H 0.01 HN Overlap>> 1.R102 1.R102 C Shift Assignments>> C :: 176.983 CA :: 54.960 CB :: 31.416 CD1 :: 125.935 CE3 :: 119.073 CZ2 :: 114.989 CZ3 :: 121.694 CH2 :: 123.953 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.010 HA :: 5.335 HB2 :: 2.851 HB3 :: 2.563 HD1 :: 6.729 HE1 :: 10.937 HE3 :: 6.839 HZ2 :: 7.456 HZ3 :: 7.035 HH2 :: 7.167 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.627 NE1 :: 133.603 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 176.420 CA :: 61.289 CB :: 34.162 CG1 :: 22.530 CG2 :: 21.979 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 :: 8.947 HA :: 4.958 HB :: 1.722 HG11 :: 0.983 HG12 :: 0.983 HG13 :: 0.983 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 :: 123.640 Ave N Shift Values>> N :: 121.02(4.96) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.27 E 0.14 Y 0.12 F 0.07 D 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 175.322 CA :: 54.529 CB :: 37.147 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.848 HA :: 4.399 HB2 :: 2.835 HB3 :: 3.089 HD21 :: 7.648 HD22 :: 7.276 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 :: 129.181 ND2 :: 112.540 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.327 CA :: 45.515 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.332 HA2 :: 3.621 HA3 :: 4.242 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.357 Ave N Shift Values>> N :: 109.91(4.29) 1.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.34 K 0.16 G 0.08 C Shift Assignments>> C :: 174.463 CA :: 54.665 CB :: 32.173 CG :: 27.370 CD :: 43.331 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 :: 8.141 HA :: 4.687 HB2 :: 1.867 HB3 :: 1.744 HG2 :: 1.569 HG3 :: 1.410 HD2 :: 3.207 HD3 :: 3.138 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.796 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.D142 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> D 0.28 N 0.26 C 0.13 L 0.09 F 0.08 Y 0.08 K 0.02 C Shift Assignments>> C :: 177.594 CA :: 53.773 CB :: 39.890 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 :: 8.090 HA :: 2.989(S) HB2 :: 1.062(A) HB3 :: 1.926 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.032 Ave N Shift Values>> N :: 120.73(4.2) 1.C143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.14 R 0.13 W 0.08 P 0.07 K 0.05 Q 0.05 E 0.04 H 0.03 L 0.03 C Shift Assignments>> C :: 174.263 CA :: 60.396 CB :: 27.119 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.904 HA :: 4.128 HB2 :: 3.130 HB3 :: 2.483 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 :: 125.868 Ave N Shift Values>> N :: 119.95(4.79) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 175.349 CA :: 43.352 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.981 HA2 :: 3.630 HA3 :: 4.331 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.847 Ave N Shift Values>> N :: 109.91(4.29) 1.V145 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 :: 175.972 CA :: 64.896 CB :: 31.954 CG1 :: 22.309 CG2 :: 21.640 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 :: 8.839 HA :: 3.796 HB :: 1.918 HG11 :: 0.818 HG12 :: 0.818 HG13 :: 0.818 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.435 Ave N Shift Values>> N :: 121.02(4.96) 1.A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 175.589 CA :: 52.483 CB :: 18.817 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.324 HA :: 3.831 HB1 :: 0.670 HB2 :: 0.670 HB3 :: 0.670 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.323 Ave N Shift Values>> N :: 123.23(3.7) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 L 0.34 C 0.18 K 0.02 C Shift Assignments>> C :: 174.977 CA :: 50.974 CB :: 22.477 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.217 HA :: 4.511 HB1 :: 1.218 HB2 :: 1.218 HB3 :: 1.218 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 113.404 Ave N Shift Values>> N :: 123.23(3.7) 1.T148 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 :: 173.593 CA :: 59.856 CB :: 71.182 CG2 :: 21.925 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 :: 8.089 HA :: 4.573 HB :: 4.195 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 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 :: 109.527 Ave N Shift Values>> N :: 115.7(5.05) 1.G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 175.348 CA :: 46.002 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.481 HA2 :: 3.705 HA3 :: 3.959 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.308 Ave N Shift Values>> N :: 109.91(4.29) 1.L150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 L 0.37 A 0.09 R 0.02 C Shift Assignments>> C :: 175.775 CA :: 54.222 CB :: 40.140 CG :: 28.978 CD1 :: 24.909 CD2 :: 22.876 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 :: 8.390 HA :: 3.571 HB2 :: 0.956 HB3 :: 0.956 HG :: 0.432(S) HD11 :: -0.143(S) HD12 :: -0.143(S) HD13 :: -0.143(S) HD21 :: -0.189(S) HD22 :: -0.189(S) HD23 :: -0.189(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.081 Ave N Shift Values>> N :: 121.98(4.07) 1.P151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> CA :: 61.659 CB :: 30.518 CG :: 26.748 CD :: 50.859 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 :: 4.744 HB2 :: 2.439 HB3 :: 2.169 HG2 :: 2.339 HG3 :: 1.970 HD2 :: 3.098 HD3 :: 3.957 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.P152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 176.118 CA :: 64.899 CB :: 32.442 CG :: 27.408 CD :: 50.328 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 :: 3.959 HB2 :: 2.256 HB3 :: 1.843 HG2 :: 2.013 HG3 :: 1.951 HD2 :: 3.743 HD3 :: 3.690 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.R153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.34 G 0.13 K 0.05 C Shift Assignments>> C :: 173.952 CA :: 54.488 CB :: 30.918 CG :: 26.698 CD :: 43.660 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 :: 7.484 HA :: 4.533 HB2 :: 1.389 HB3 :: 1.707 HG2 :: 1.043 HG3 :: 0.875 HD2 :: 3.067 HD3 :: 3.067 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 :: 118.908 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.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.08 V 0.05 A 0.04 C Shift Assignments>> C :: 172.726 CA :: 58.294 CB :: 36.715 CG1 :: 22.285 CG2 :: 18.564 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.987 HA :: 5.171 HB :: 1.953 HG11 :: 0.743 HG12 :: 0.743 HG13 :: 0.743 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 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 :: 118.307 Ave N Shift Values>> N :: 121.02(4.96) 1.W155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.43 H 0.01 C Shift Assignments>> C :: 176.865 CA :: 58.863 CB :: 32.457 CD1 :: 128.036 CE3 :: 124.098 CZ2 :: 113.004 CZ3 :: 121.106 CH2 :: 123.212 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.727 HA :: 4.309 HB2 :: 3.194 HB3 :: 2.955 HD1 :: 7.332 HE1 :: 9.794 HE3 :: 7.782 HZ2 :: 7.250 HZ3 :: 6.808 HH2 :: 6.956 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.016 NE1 :: 126.422 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 C 0.04 L 0.03 C Shift Assignments>> C :: 175.576 CA :: 51.902 CB :: 20.231 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.168 HA :: 4.689 HB1 :: 0.723 HB2 :: 0.723 HB3 :: 0.723 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.374 Ave N Shift Values>> N :: 123.23(3.7) 1.V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.47 C Shift Assignments>> C :: 173.338 CA :: 60.027 CB :: 34.947 CG1 :: 21.808 CG2 :: 20.636 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 :: 8.404 HA :: 4.769 HB :: 1.539 HG11 :: 0.745 HG12 :: 0.745 HG13 :: 0.745 HG21 :: 0.633 HG22 :: 0.633 HG23 :: 0.633 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 :: 118.459 Ave N Shift Values>> N :: 121.02(4.96) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.41 C Shift Assignments>> C :: 172.190 CA :: 61.074 CB :: 34.159 CG1 :: 22.514 CG2 :: 20.251 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 :: 9.181 HA :: 4.622 HB :: 1.966 HG11 :: 0.979 HG12 :: 0.979 HG13 :: 0.979 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 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 :: 125.705 Ave N Shift Values>> N :: 121.02(4.96) 1.D159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.06 R 0.01 C Shift Assignments>> C :: 177.320 CA :: 52.301 CB :: 45.608 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.115 HA :: 5.133 HB2 :: 2.990 HB3 :: 1.987 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 :: 125.974 Ave N Shift Values>> N :: 120.73(4.2) 1.L160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 L 0.08 K 0.01 C Shift Assignments>> C :: 174.541 CA :: 55.138 CB :: 38.831 CG :: 28.769 CD1 :: 27.741 CD2 :: 26.047 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 :: 8.404 HA :: 4.168 HB2 :: 1.481 HB3 :: 2.030 HG :: 1.540 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 131.212 Ave N Shift Values>> N :: 121.98(4.07) 1.Y161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 177.217 CA :: 56.508 CB :: 39.654 CD1 :: 133.990 CD2 :: 133.990 CE1 :: 116.846 CE2 :: 116.846 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 :: 7.528 HA :: 4.453 HB2 :: 2.947 HB3 :: 2.763 HD1 :: 7.272 HD2 :: 7.272 HE1 :: 6.847 HE2 :: 6.847 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 :: 126.144 Ave N Shift Values>> N :: 120.79(4.69) 1.G162 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 176.175 CA :: 46.681 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.445 HA2 :: 2.501(S) HA3 :: 3.522 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.570 Ave N Shift Values>> N :: 109.91(4.29) 1.K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.41 K 0.12 G 0.02 C Shift Assignments>> C :: 177.189 CA :: 59.315 CB :: 34.938 CG :: 26.463 CD :: 30.751 CE :: 42.606 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.595 HA :: 4.564 HB2 :: 2.081 HB3 :: 2.043 HG2 :: 1.546 HG3 :: 1.819 HD2 :: 1.967 HD3 :: 1.742 HE2 :: 3.228 HE3 :: 3.129 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.495 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 R 0.16 C 0.15 W 0.09 Q 0.07 K 0.07 L 0.05 E 0.05 H 0.05 P 0.02 HN Overlap>> 1.S92 1.S92 C Shift Assignments>> C :: 173.497 CA :: 59.704 CB :: 27.122 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.880 HA :: 4.506 HB2 :: 3.075 HB3 :: 2.885 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 :: 116.646 Ave N Shift Values>> N :: 119.95(4.79) 1.T165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 175.334 CA :: 62.002 CB :: 69.361 CG2 :: 23.913 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 :: 8.148 HA :: 4.584 HB :: 4.416 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 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 :: 115.432 Ave N Shift Values>> N :: 115.7(5.05) 1.Q166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Q 0.25 E 0.18 K 0.05 C Shift Assignments>> C :: 175.091 CA :: 56.585 CB :: 32.058 CG :: 33.987 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 :: 7.581 HA :: 5.560 HB2 :: 2.434 HB3 :: 1.565 HG2 :: 2.659 HG3 :: 2.443 HE21 :: 7.965 HE22 :: 6.820 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.430 NE2 :: 115.114 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.47 A 0.02 HN Overlap>> 1.V94 1.V94 C Shift Assignments>> C :: 174.329 CA :: 58.182 CB :: 44.360 CG1 :: 26.615 CG2 :: 21.178 CD1 :: 15.557 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 :: 8.938 HA :: 5.567 HB :: 1.875 HG12 :: 1.572 HG13 :: 1.572 HG21 :: 0.807 HG22 :: 0.807 HG23 :: 0.807 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.170 Ave N Shift Values>> N :: 121.6(4.72) 1.T168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.438 CA :: 62.304 CB :: 72.649 CG2 :: 21.033 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 :: 8.379 HA :: 5.340 HB :: 3.810 HG21 :: 1.019 HG22 :: 1.019 HG23 :: 1.019 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 :: 116.718 Ave N Shift Values>> N :: 115.7(5.05) 1.V169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 174.710 CA :: 62.995 CB :: 32.663 CG1 :: 21.992 CG2 :: 21.848 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 :: 9.546 HA :: 4.016 HB :: 1.868 HG11 :: 0.887 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 0.587 HG22 :: 0.587 HG23 :: 0.587 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 :: 128.086 Ave N Shift Values>> N :: 121.02(4.96) 1.L170 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.27 R 0.13 A 0.06 G 0.04 C Shift Assignments>> C :: 169.397(S) CA :: 55.571 CB :: 42.845 CG :: 26.718 CD1 :: 26.483 CD2 :: 22.170 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 :: 8.250 HA :: 4.166 HB2 :: 1.452 HB3 :: 1.291 HG :: 1.466 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 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 :: 134.019 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 154 #Clerical: 0 #Suspicious: 13 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 166 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 168 #Suspicious: 2 C Shift Results: #Consistent: 705 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1103 #Duplicate: 0 #Unknown: 0 #Suspicious: 23 #Anomalous: 3 N Shift Results: #Consistent: 169 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.P11 HD3 = 2.087(S), Expected = 3.63, Std = 0.4000, ChiSquare = 1.1455e-04 1.R12 H = 10.953(S), Expected = 8.24, Std = 0.6000, ChiSquare = 6.1355e-06 1.F35 HB2 = 1.662(S), Expected = 2.99, Std = 0.3700, ChiSquare = 3.3171e-04 1.F35 HB3 = -0.192(A), Expected = 2.97, Std = 0.3800, ChiSquare = 8.7186e-17 1.F52 N = 134.543(S), Expected = 120.69, Std = 4.1800, ChiSquare = 9.1934e-04 1.K59 HA = 5.773(S), Expected = 4.28, Std = 0.4500, ChiSquare = 9.0737e-04 1.D75 HA = 2.367(A), Expected = 4.61, Std = 0.3100, ChiSquare = 4.6387e-13 1.D75 SRO Rule Break>> HA > HB2 : 0.999496728736789 1.P76 HB3 = 0.483(S), Expected = 2.05, Std = 0.3900, ChiSquare = 5.8707e-05 1.P76 HD2 = 2.027(S), Expected = 3.64, Std = 0.3600, ChiSquare = 7.4449e-06 1.P76 HD3 = 1.941(S), Expected = 3.63, Std = 0.4000, ChiSquare = 2.4161e-05 1.L79 HD21 = -0.246(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.2707e-04 1.L79 HD22 = -0.246(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.2707e-04 1.L79 HD23 = -0.246(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.2707e-04 1.A85 H = 10.312(S), Expected = 8.20, Std = 0.6000, ChiSquare = 4.3155e-04 1.R102 HG2 = 0.589(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.4220e-04 1.R102 HG3 = 0.009(S), Expected = 1.58, Std = 0.2700, ChiSquare = 5.9371e-09 1.G125 HA3 = 5.942(S), Expected = 3.93, Std = 0.4000, ChiSquare = 4.9048e-07 1.E127 SRO Rule Break>> CG > CB : 0.99165623696287 1.D142 HA = 2.989(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.7040e-07 1.D142 HB2 = 1.062(A), Expected = 2.74, Std = 0.2900, ChiSquare = 7.1994e-09 1.L150 HG = 0.432(S), Expected = 1.54, Std = 0.3300, ChiSquare = 7.8629e-04 1.L150 HD11 = -0.143(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2096e-04 1.L150 HD12 = -0.143(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2096e-04 1.L150 HD13 = -0.143(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2096e-04 1.L150 HD21 = -0.189(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.0075e-04 1.L150 HD22 = -0.189(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.0075e-04 1.L150 HD23 = -0.189(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.0075e-04 1.G162 HA2 = 2.501(S), Expected = 3.95, Std = 0.4000, ChiSquare = 2.9177e-04 1.L170 C = 169.397(S), Expected = 176.97, Std = 2.0900, ChiSquare = 2.9071e-04