Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.26 N 0.23 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 172.770 CA :: 53.231 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.827 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.11 Q 0.05 K 0.05 I 0.02 HN Overlap>> 1.L5 1.L5 C Shift Assignments>> C :: 176.656 CA :: 56.546 CB :: 30.381 CG :: 36.276 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.209 HA :: 4.318 HB2 :: 2.037 HB3 :: 1.939 HG2 :: 2.249 HG3 :: 2.249 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.927 Ave N Shift Values>> N :: 120.67(3.48) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.757 CA :: 45.308 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.541 HA2 :: 3.945 HA3 :: 3.909 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.568 Ave N Shift Values>> N :: 109.67(3.87) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 C Shift Assignments>> C :: 177.599 CA :: 52.481 CB :: 19.474 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.140 HA :: 4.259 HB1 :: 1.308 HB2 :: 1.308 HB3 :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.441 Ave N Shift Values>> N :: 123.23(3.54) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.28 R 0.05 G 0.01 A 0.01 HN Overlap>> 1.E2 1.E2 C Shift Assignments>> C :: 176.888 CA :: 55.275 CB :: 42.354 CG :: 27.334 CD1 :: 24.967 CD2 :: 23.705 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.138 HA :: 4.218 HB2 :: 1.448 HB3 :: 1.334 HG :: 1.447 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.893 Ave N Shift Values>> N :: 121.86(3.9) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 175.888 CA :: 57.319 CB :: 39.054 CD1 :: 133.280 CE1 :: 118.150 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.038 HA :: 4.629 HB2 :: 3.107 HB3 :: 2.889 HD1 :: 7.083 HD2 :: 7.083 HE1 :: 6.776 HE2 :: 6.776 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.454 Ave N Shift Values>> N :: 120.52(4.2) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.884 CA :: 44.622 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.097 HA2 :: 4.067 HA3 :: 4.067 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.044 Ave N Shift Values>> N :: 109.67(3.87) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.828 CA :: 63.122 CB :: 32.316 CG :: 27.442 CD :: 49.881 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.455 HB2 :: 2.356 HB3 :: 2.002 HG2 :: 2.078 HG3 :: 2.078 HD2 :: 3.644 HD3 :: 3.607 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.56 C 0.34 E 0.08 C Shift Assignments>> C :: 175.138 CA :: 54.915 CB :: 29.766 CG :: 33.849 CD :: 179.860 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.432 HA :: 4.263 HB2 :: 1.993 HB3 :: 1.881 HG2 :: 2.328 HG3 :: 2.328 HE21 :: 7.794 HE22 :: 7.014 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.514 NE2 :: 110.550 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.03 C 0.01 C Shift Assignments>> C :: 175.138 CA :: 49.912 CB :: 19.140 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.201 HA :: 3.174 HB1 :: 0.835 HB2 :: 0.835 HB3 :: 0.835 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.209 Ave N Shift Values>> N :: 123.23(3.54) 1.P11 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 :: 62.197 CB :: 32.121 CG :: 27.557 CD :: 51.006 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.259 HB2 :: 1.563 HB3 :: 2.227 HG2 :: 1.872 HG3 :: 1.793 HD2 :: 2.823 HD3 :: 3.286 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.44 C 0.43 R 0.11 C Shift Assignments>> C :: 177.322 CA :: 58.005 CB :: 32.077 CG :: 24.831 CD :: 28.967 CE :: 41.839 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.075 HB2 :: 1.773 HB3 :: 1.774 HG2 :: 1.523 HG3 :: 1.430 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.975 HE3 :: 2.901 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.944 CA :: 45.224 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.990 HA2 :: 4.159 HA3 :: 3.699 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.990 Ave N Shift Values>> N :: 109.67(3.87) 1.S14 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 :: 173.668 CA :: 61.331 CB :: 64.406 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.349 HA :: 4.089 HB2 :: 3.506 HB3 :: 3.177 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.585 Ave N Shift Values>> N :: 116.28(3.52) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.15 C 0.08 C Shift Assignments>> C :: 175.564 CA :: 50.573 CB :: 21.841 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.669 HA :: 4.987 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.859 Ave N Shift Values>> N :: 123.23(3.54) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.22 G 0.19 C 0.13 C Shift Assignments>> C :: 175.856 CA :: 56.556 CB :: 43.704 CD2 :: 131.539 CE2 :: 130.970 CZ :: 129.040 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.584 HA :: 5.376 HB2 :: 2.307 HB3 :: 1.943 HD1 :: 6.304 HD2 :: 6.304 HE1 :: 6.987 HE2 :: 6.987 HZ :: 6.911 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.268 Ave N Shift Values>> N :: 120.45(4.18) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.25 C Shift Assignments>> C :: 173.156 CA :: 59.181 CB :: 36.149 CG1 :: 21.423 CG2 :: 21.629 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.168 HA :: 5.747 HB :: 1.752 HG11 :: 0.794 HG12 :: 0.794 HG13 :: 0.794 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.269 Ave N Shift Values>> N :: 121.14(4.54) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.3 R 0.02 HN Overlap>> 1.V31 1.V31 C Shift Assignments>> C :: 174.957 CA :: 53.360 CB :: 33.919 CD :: 44.878 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.640 HA :: 5.647 HB2 :: 1.529 HB3 :: 1.782 HG2 :: 1.204 HG3 :: 1.384 HD2 :: 2.674 HE :: 7.730 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.361 NE :: 86.047 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.36 L 0.35 C 0.21 G 0.02 K 0.02 P 0.01 C Shift Assignments>> C :: 175.271 CA :: 49.642 CB :: 23.092 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.290 HA :: 5.490 HB1 :: 1.149 HB2 :: 1.149 HB3 :: 1.149 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.463 Ave N Shift Values>> N :: 123.23(3.54) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.39 C 0.17 C Shift Assignments>> C :: 171.969 CA :: 55.954 CB :: 40.523 CD2 :: 132.534 CE2 :: 116.978 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.777 HA :: 4.947 HB2 :: 2.327 HB3 :: 1.934 HD1 :: 6.466 HD2 :: 6.466 HE1 :: 6.220 HE2 :: 6.220 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.893 Ave N Shift Values>> N :: 120.52(4.2) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.81 D 0.11 C 0.06 C Shift Assignments>> C :: 172.008 CA :: 49.756 CB :: 39.552 CG :: 176.533 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.121 HA :: 4.367 HB2 :: 1.835 HB3 :: 3.396 HD21 :: 7.684 HD22 :: 6.335 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.670 ND2 :: 113.217 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 C Shift Assignments>> C :: 177.287 CA :: 51.416 CB :: 17.857 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.702 HA :: 4.252 HB1 :: 1.284 HB2 :: 1.284 HB3 :: 1.284 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.710 Ave N Shift Values>> N :: 123.23(3.54) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.27 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.542 CA :: 44.226 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.688 HA2 :: 4.093 HA3 :: 3.705 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.597 Ave N Shift Values>> N :: 109.67(3.87) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.34 C 0.08 C Shift Assignments>> C :: 175.070 CA :: 52.833 CB :: 39.652 CG :: 177.542 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.878 HA :: 4.778 HB2 :: 2.791 HB3 :: 2.737 HD21 :: 6.825 HD22 :: 7.536 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 110.820 ND2 :: 112.231 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.892 CA :: 56.466 CB :: 65.198 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.701 HA :: 4.621 HB2 :: 3.758 HB3 :: 3.753 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.815 Ave N Shift Values>> N :: 116.28(3.52) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.38 I 0.11 M 0.03 K 0.02 HN Overlap>> 1.R183 1.R183 C Shift Assignments>> C :: 174.870 CA :: 58.320 CB :: 30.098 CG :: 37.085 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.084 HA :: 4.014 HB2 :: 1.878 HB3 :: 1.781 HG2 :: 2.308 HG3 :: 2.085 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.690 Ave N Shift Values>> N :: 120.67(3.48) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 G 0.33 L 0.15 A 0.08 C Shift Assignments>> C :: 173.291 CA :: 53.855 CB :: 47.006 CG :: 27.054 CD1 :: 27.057 CD2 :: 23.358 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.078 HA :: 4.595 HB2 :: 1.213 HB3 :: 1.557 HG :: 0.525 HD11 :: 0.525 HD12 :: 0.525 HD13 :: 0.525 HD21 :: 0.739 HD22 :: 0.739 HD23 :: 0.739 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.855 Ave N Shift Values>> N :: 121.86(3.9) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.16 K 0.08 C 0.04 F 0.04 N 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 175.374 CA :: 53.001 CB :: 42.732 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.096 HA :: 5.407 HB2 :: 2.622 HB3 :: 2.435 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.122 Ave N Shift Values>> N :: 120.65(3.86) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 C Shift Assignments>> C :: 174.508 CA :: 59.630 CB :: 35.204 CG1 :: 22.810 CG2 :: 22.154 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.549 HA :: 5.123 HB :: 2.035 HG11 :: 0.858 HG12 :: 0.858 HG13 :: 0.858 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.678 Ave N Shift Values>> N :: 121.14(4.54) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.100 CA :: 57.009 CB :: 65.747 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.031 HA :: 5.119 HB2 :: 3.696 HB3 :: 3.760 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.510 Ave N Shift Values>> N :: 116.28(3.52) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 1.R18 1.R18 C Shift Assignments>> C :: 174.674 CA :: 61.101 CB :: 32.272 CG1 :: 21.084 CG2 :: 20.764 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.571 HA :: 3.918 HB :: 1.627 HG11 :: 0.177 HG12 :: 0.177 HG13 :: 0.177 HG21 :: 0.437 HG22 :: 0.437 HG23 :: 0.437 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.436 Ave N Shift Values>> N :: 121.14(4.54) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 174.674 CA :: 47.339 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.655 HA2 :: 3.770 HA3 :: 3.907 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.605 Ave N Shift Values>> N :: 109.67(3.87) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.984 CA :: 58.418 CB :: 63.084 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.410 HB2 :: 4.057 HB3 :: 3.876 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.L154 1.L154 C Shift Assignments>> C :: 172.781 CA :: 63.102 CB :: 69.232 CG2 :: 21.096 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.079 HA :: 4.255 HB :: 3.997 HG1 :: 0.861 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.504 Ave N Shift Values>> N :: 115.42(4.75) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.566 CA :: 57.247 CB :: 65.193 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.597 HA :: 4.889 HB2 :: 3.691 HB3 :: 3.757 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.042 Ave N Shift Values>> N :: 116.28(3.52) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.2 R 0.01 C Shift Assignments>> C :: 174.079 CA :: 53.556 CB :: 41.387 CG :: 26.969 CD1 :: 25.515 CD2 :: 24.527 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.014 HA :: 4.575 HB2 :: 1.686 HB3 :: 1.242 HG :: 1.387 HD11 :: 0.695 HD12 :: 0.695 HD13 :: 0.695 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.305 Ave N Shift Values>> N :: 121.86(3.9) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.29 C 0.08 C Shift Assignments>> C :: 175.350 CA :: 52.502 CB :: 40.760 CG :: 176.251 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.147 HA :: 5.195 HB2 :: 2.704 HB3 :: 2.512 HD21 :: 7.384 HD22 :: 6.584 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.176 ND2 :: 109.711 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.23 F 0.14 Y 0.13 L 0.11 C 0.09 I 0.01 C Shift Assignments>> C :: 175.397 CA :: 54.726 CB :: 39.641 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.090 HA :: 4.016 HB2 :: 2.712 HB3 :: 2.565 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.525 Ave N Shift Values>> N :: 120.65(3.86) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.929 CA :: 63.403 CB :: 31.215 CG1 :: 22.594 CG2 :: 21.314 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.189 HA :: 3.710 HB :: 1.922 HG11 :: 0.766 HG12 :: 0.766 HG13 :: 0.766 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.570 Ave N Shift Values>> N :: 121.14(4.54) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C Shift Assignments>> C :: 176.929 CA :: 51.476 CB :: 18.099 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.541 HA :: 4.254 HB1 :: 1.351 HB2 :: 1.351 HB3 :: 1.351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.181 Ave N Shift Values>> N :: 123.23(3.54) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.576 CA :: 64.067 CB :: 32.092 CG :: 27.806 CD :: 50.659 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.981 HB2 :: 1.781 HB3 :: 2.091 HG2 :: 1.287 HG3 :: 1.978 HD2 :: 3.330 HD3 :: 3.534 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.36 A 0.02 HN Overlap>> 1.D124 1.D124 C Shift Assignments>> C :: 176.299 CA :: 56.840 CB :: 38.629 CG :: 27.360 CD1 :: 25.613 CD2 :: 22.776 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.274 HA :: 4.334 HB2 :: 2.104 HB3 :: 1.733 HG :: 1.470 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.803 Ave N Shift Values>> N :: 121.86(3.9) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.3 G 0.2 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.268 CA :: 43.886 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.514 HA2 :: 4.606 HA3 :: 3.608 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.430 Ave N Shift Values>> N :: 109.67(3.87) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 S 0.32 C Shift Assignments>> C :: 174.787 CA :: 56.417 CB :: 67.665 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.310 HA :: 5.644 HB2 :: 3.762 HB3 :: 3.877 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.857 Ave N Shift Values>> N :: 116.28(3.52) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 S 0.33 C Shift Assignments>> C :: 174.335 CA :: 56.816 CB :: 67.602 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.638 HA :: 4.926 HB2 :: 3.708 HB3 :: 3.704 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.653 Ave N Shift Values>> N :: 116.28(3.52) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.14 K 0.08 F 0.05 C 0.05 Y 0.03 R 0.02 C Shift Assignments>> C :: 178.136 CA :: 52.841 CB :: 41.446 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.771 HA :: 4.811 HB2 :: 2.705 HB3 :: 2.606 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.290 Ave N Shift Values>> N :: 120.65(3.86) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.4 C 0.15 C Shift Assignments>> C :: 176.883 CA :: 58.942 CB :: 41.414 CD1 :: 132.249 CE1 :: 132.088 CZ :: 129.031 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.338 HA :: 4.741 HB2 :: 3.106 HB3 :: 2.980 HD1 :: 7.195 HD2 :: 7.195 HE1 :: 7.441 HE2 :: 7.441 HZ :: 6.957 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.401 Ave N Shift Values>> N :: 120.45(4.18) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.37 K 0.22 G 0.01 C Shift Assignments>> C :: 175.125 CA :: 55.376 CB :: 35.799 CG :: 26.384 CD :: 29.527 CE :: 42.135 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.194 HA :: 4.742 HB2 :: 1.743 HB3 :: 1.405 HG2 :: 1.405 HG3 :: 1.405 HD2 :: 1.647 HD3 :: 1.544 HE2 :: 3.029 HE3 :: 2.979 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.964 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.42 C 0.13 C Shift Assignments>> C :: 174.393 CA :: 54.030 CB :: 41.230 CD1 :: 132.739 CE1 :: 131.435 CZ :: 130.192 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.163 HA :: 5.506 HB2 :: 2.516 HB3 :: 2.453 HD1 :: 7.056 HD2 :: 7.056 HE1 :: 7.333 HE2 :: 7.333 HZ :: 7.237 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.858 Ave N Shift Values>> N :: 120.45(4.18) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 R 0.01 C Shift Assignments>> C :: 174.393 CA :: 54.538 CB :: 40.659 CG :: 26.875 CD1 :: 25.532 CD2 :: 26.901 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.799 HA :: 4.624 HB2 :: 1.581 HB3 :: 1.518 HG :: 1.389 HD11 :: 0.478 HD12 :: 0.478 HD13 :: 0.478 HD21 :: 0.162 HD22 :: 0.162 HD23 :: 0.162 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.025 Ave N Shift Values>> N :: 121.86(3.9) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 P 0.42 C Shift Assignments>> CA :: 61.685 CB :: 30.427 CD :: 49.840 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.532 HB2 :: 2.394 HB3 :: 1.713 HD2 :: 3.740 HD3 :: 3.556 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 175.364 CA :: 62.983 CB :: 32.120 CG :: 27.869 CD :: 50.662 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.252 HB2 :: 1.781 HB3 :: 2.079 HG2 :: 2.123 HG3 :: 1.984 HD2 :: 3.563 HD3 :: 3.327 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.590 CA :: 44.246 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.476 HA2 :: 4.123 HA3 :: 3.709 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.059 Ave N Shift Values>> N :: 109.67(3.87) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.495 CA :: 57.518 CB :: 63.523 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.010 HA :: 5.239 HB2 :: 3.720 HB3 :: 3.544 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.746 Ave N Shift Values>> N :: 116.28(3.52) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 Y 0.26 C 0.17 C Shift Assignments>> C :: 175.463 CA :: 56.315 CB :: 44.213 CD1 :: 133.319 CE1 :: 117.286 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.741 HA :: 4.790 HB2 :: 2.851 HB3 :: 2.098 HD1 :: 6.743 HD2 :: 6.743 HE1 :: 6.621 HE2 :: 6.621 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.903 Ave N Shift Values>> N :: 120.52(4.2) 1.T56 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 :: 174.237 CA :: 62.836 CB :: 68.394 CG2 :: 22.222 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.040 HA :: 4.519 HB :: 4.003 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.877 Ave N Shift Values>> N :: 115.42(4.75) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 C 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 175.311 CA :: 50.749 CB :: 20.467 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.103 HA :: 4.798 HB1 :: 1.222 HB2 :: 1.222 HB3 :: 1.222 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.936 Ave N Shift Values>> N :: 123.23(3.54) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.6 C 0.37 E 0.02 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 174.526 CA :: 54.527 CB :: 28.930 CG :: 33.029 CD :: 180.027 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.068 HA :: 4.644 HB2 :: 2.101 HB3 :: 1.915 HG2 :: 2.236 HG3 :: 2.236 HE21 :: 6.556 HE22 :: 7.299 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.370 NE2 :: 111.205 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 175.776 CA :: 60.180 CB :: 31.105 CG1 :: 21.104 CG2 :: 22.147 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.909 HA :: 4.261 HB :: 2.032 HG11 :: 0.728 HG12 :: 0.728 HG13 :: 0.728 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.008 Ave N Shift Values>> N :: 121.14(4.54) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 175.081 CA :: 47.567 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.645 HA2 :: 3.991 HA3 :: 3.992 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.064 Ave N Shift Values>> N :: 109.67(3.87) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 C 0.37 E 0.17 C Shift Assignments>> C :: 175.461 CA :: 56.129 CB :: 28.946 CG :: 34.218 CD :: 180.515 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.051 HA :: 4.323 HB2 :: 2.363 HB3 :: 1.918 HG2 :: 2.365 HG3 :: 2.369 HE21 :: 7.471 HE22 :: 6.826 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.774 NE2 :: 113.409 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 Q 0.2 E 0.16 HN Overlap>> 1.K93 1.K93 C Shift Assignments>> C :: 173.927 CA :: 54.998 CB :: 32.918 CG :: 34.873 CD :: 180.277 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.673 HA :: 4.662 HB2 :: 2.003 HB3 :: 2.113 HG2 :: 2.335 HG3 :: 2.335 HE21 :: 7.056 HE22 :: 7.695 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.051 NE2 :: 113.568 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.779 CA :: 56.999 CB :: 65.261 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.612 HA :: 5.327 HB2 :: 3.674 HB3 :: 3.676 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.181 Ave N Shift Values>> N :: 116.28(3.52) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.22 C 0.14 A 0.02 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> C :: 173.779 CA :: 52.595 CB :: 46.041 CG :: 26.798 CD1 :: 26.232 CD2 :: 24.055 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.958 HA :: 4.952 HB2 :: 1.616 HB3 :: 1.269 HG :: 1.278 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.349 Ave N Shift Values>> N :: 121.86(3.9) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.866 CA :: 62.776 CB :: 31.762 CG :: 27.762 CD :: 51.317 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.002 HB2 :: 2.329 HB3 :: 1.944 HG2 :: 1.960 HG3 :: 2.184 HD2 :: 3.763 HD3 :: 3.860 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.07 I 0.02 A 0.01 C Shift Assignments>> C :: 173.708 CA :: 58.915 CB :: 36.168 CG1 :: 23.629 CG2 :: 19.852 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.101 HA :: 4.727 HB :: 1.849 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.469 Ave N Shift Values>> N :: 121.14(4.54) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.37 R 0.08 C Shift Assignments>> C :: 173.769 CA :: 55.505 CB :: 33.859 CG :: 25.156 CD :: 28.829 CE :: 41.820 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.852 HA :: 4.747 HB2 :: 1.674 HB3 :: 1.530 HG2 :: 1.168 HG3 :: 1.134 HD2 :: 1.673 HD3 :: 1.540 HE2 :: 2.893 HE3 :: 2.929 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.032 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 A 0.19 C 0.19 R 0.14 G 0.03 C Shift Assignments>> C :: 176.102 CA :: 52.530 CB :: 42.403 CG :: 27.356 CD1 :: 27.233 CD2 :: 22.500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.791 HA :: 4.388 HB2 :: 1.139 HB3 :: 1.796 HG :: 1.434 HD11 :: 0.539 HD12 :: 0.539 HD13 :: 0.539 HD21 :: -0.040 HD22 :: -0.040 HD23 :: -0.040 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.291 Ave N Shift Values>> N :: 121.86(3.9) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.33 L 0.12 F 0.06 C 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 176.102 CA :: 52.750 CB :: 40.290 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.879 HA :: 5.045 HB2 :: 2.615 HB3 :: 2.704 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.305 Ave N Shift Values>> N :: 120.65(3.86) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 178.365 CA :: 63.307 CB :: 32.412 CG :: 27.569 CD :: 50.388 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.263 HB2 :: 2.368 HB3 :: 2.368 HG2 :: 1.842 HG3 :: 1.842 HD2 :: 3.673 HD3 :: 3.802 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.19 Y 0.17 L 0.14 N 0.12 C 0.1 I 0.01 K 0.01 C Shift Assignments>> C :: 174.388 CA :: 55.634 CB :: 39.993 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.723 HA :: 4.485 HB2 :: 2.985 HB3 :: 2.757 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.986 Ave N Shift Values>> N :: 120.65(3.86) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 170.479 CA :: 58.728 CB :: 66.266 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.100 HA :: 4.847 HB2 :: 4.036 HB3 :: 3.664 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.417 Ave N Shift Values>> N :: 116.28(3.52) 1.Y73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 176.044 CA :: 56.503 CB :: 40.621 CD1 :: 132.051 CE1 :: 117.497 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.602 HA :: 5.232 HB2 :: 3.063 HB3 :: 2.209 HD1 :: 5.847(S) HD2 :: 5.847(S) HE1 :: 5.817(S) HE2 :: 5.817(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.245 Ave N Shift Values>> N :: 120.52(4.2) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 F 0.12 C 0.1 Y 0.06 C Shift Assignments>> C :: 174.500 CA :: 57.138 CB :: 44.867 CD2 :: 132.000 CE2 :: 115.223 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.942 HA :: 5.382 HB2 :: 2.932 HB3 :: 2.764 HD1 :: 7.016 HD2 :: 7.016 HE1 :: 7.188 HE2 :: 7.188 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.741 Ave N Shift Values>> N :: 120.52(4.2) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 T 0.37 C Shift Assignments>> C :: 174.129 CA :: 60.834 CB :: 70.834 CG2 :: 23.889 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.809 HA :: 4.706 HB :: 4.249 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.901 Ave N Shift Values>> N :: 115.42(4.75) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.22 R 0.21 G 0.08 C Shift Assignments>> C :: 174.692 CA :: 53.895 CB :: 43.230 CG :: 27.588 CD1 :: 25.713 CD2 :: 26.242 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.462 HA :: 5.035 HB2 :: 1.517 HB3 :: 1.202 HG :: 1.421 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 HD21 :: 0.561 HD22 :: 0.561 HD23 :: 0.561 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.229 Ave N Shift Values>> N :: 121.86(3.9) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 C Shift Assignments>> C :: 176.128 CA :: 61.247 CB :: 34.740 CG1 :: 23.605 CG2 :: 20.625 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.163 HA :: 4.777 HB :: 1.898 HG11 :: 1.057 HG12 :: 1.057 HG13 :: 1.057 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.990 Ave N Shift Values>> N :: 121.14(4.54) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.183 CA :: 55.409 CB :: 64.783 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.790 HA :: 4.633 HB2 :: 3.513 HB3 :: 3.234 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.570 Ave N Shift Values>> N :: 116.28(3.52) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.59 C 0.39 C Shift Assignments>> C :: 173.183 CA :: 52.298 CB :: 30.533 CG :: 33.088 CD :: 179.485 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.953 HA :: 4.776 HB2 :: 1.719 HB3 :: 1.950 HG2 :: 2.241 HG3 :: 2.111 HE21 :: 7.261 HE22 :: 7.383 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.319 NE2 :: 111.670 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 63.480 CB :: 31.490 CG :: 27.902 CD :: 50.665 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.315 HB2 :: 2.249 HB3 :: 1.913 HG2 :: 2.112 HG3 :: 2.112 HD2 :: 3.322 HD3 :: 3.569 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA2 :: 4.268 HA3 :: 4.268 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.29 R 0.28 G 0.23 F 0.04 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 172.908 CA :: 43.968 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.486 HA3 :: 3.618 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 C 0.37 HN Overlap>> 1.T158 1.T158 C Shift Assignments>> CA :: 54.491 CB :: 32.238 CG :: 25.085 CD :: 28.931 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.462 HA :: 4.629 HB2 :: 1.900 HB3 :: 1.723 HG2 :: 1.571 HG3 :: 1.571 HD2 :: 2.100 HD3 :: 2.170 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.676 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 174.578 CA :: 62.451 CB :: 32.217 CG :: 27.872 CD :: 49.924 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.086 HB2 :: 2.176 HB3 :: 1.717 HG2 :: 1.873 HG3 :: 1.831 HD2 :: 3.720 HD3 :: 3.720 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 Q 0.1 E 0.04 C Shift Assignments>> C :: 173.088 CA :: 54.643 CB :: 34.145 CG :: 34.201 CD :: 180.637 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.022 HA :: 4.666 HB2 :: 1.753 HB3 :: 1.996 HG2 :: 2.263 HG3 :: 2.298 HE21 :: 6.830 HE22 :: 7.570 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.988 NE2 :: 112.829 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.2 G 0.11 R 0.07 C Shift Assignments>> C :: 175.335 CA :: 54.345 CB :: 43.468 CG :: 26.324 CD1 :: 26.295 CD2 :: 24.291 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.895 HA :: 4.738 HB2 :: 2.093 HB3 :: 1.136 HG :: 0.672 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 HD21 :: 0.610 HD22 :: 0.610 HD23 :: 0.610 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.764 Ave N Shift Values>> N :: 121.86(3.9) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.453 CA :: 61.679 CB :: 33.656 CG1 :: 22.632 CG2 :: 22.474 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.509 HA :: 4.435 HB :: 2.411 HG11 :: 1.036 HG12 :: 1.036 HG13 :: 1.036 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 131.224 Ave N Shift Values>> N :: 121.14(4.54) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 HN Overlap>> 1.V165 1.V165 C Shift Assignments>> C :: 177.022 CA :: 53.002 CB :: 19.197 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.926 HA :: 4.328 HB1 :: 1.434 HB2 :: 1.434 HB3 :: 1.434 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.469 Ave N Shift Values>> N :: 123.23(3.54) 1.E89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.34 C 0.16 H 0.12 R 0.08 W 0.07 Q 0.06 M 0.06 K 0.03 E 0.02 C Shift Assignments>> C :: 177.022 CA :: 51.198 CB :: 29.974 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.995 HA :: 4.788 HB2 :: 2.744(S) HB3 :: 2.744 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.762 Ave N Shift Values>> N :: 120.67(3.48) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.92 C 0.03 R 0.01 C Shift Assignments>> CB :: 32.404 CG :: 27.727 CD :: 49.580 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.507 HB2 :: 2.369 HB3 :: 2.369 HG2 :: 1.692 HG3 :: 1.692 HD2 :: 3.391 HD3 :: 2.741 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> CA :: 62.788 CB :: 32.776 CD :: 50.491 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.170 HB2 :: 1.682 HB3 :: 1.980 HD2 :: 3.646 HD3 :: 3.773 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 F 0.34 C 0.17 C Shift Assignments>> CA :: 56.501 CB :: 41.642 CD1 :: 130.301 CE1 :: 131.954 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.504 HA :: 4.723 HB2 :: 2.714 HB3 :: 2.535 HD1 :: 6.753 HD2 :: 6.753 HE1 :: 7.199 HE2 :: 7.199 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.446 Ave N Shift Values>> N :: 120.45(4.18) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.36 R 0.07 HN Overlap>> 1.Q62 1.Q62 C Shift Assignments>> C :: 174.857 CA :: 55.174 CB :: 33.299 CG :: 24.701 CD :: 28.829 CE :: 41.713 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.674 HA :: 4.171 HB2 :: 1.441 HB3 :: 1.720 HG2 :: 1.133 HG3 :: 1.134 HD2 :: 1.538 HD3 :: 1.538 HE2 :: 2.837 HE3 :: 2.837 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.067 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.63 D 0.27 C 0.08 C Shift Assignments>> C :: 174.421 CA :: 52.829 CB :: 39.509 CG :: 177.092 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.093(S) HA :: 4.304 HB2 :: 2.508 HB3 :: 2.184 HD21 :: 7.872 HD22 :: 6.911 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.763 ND2 :: 114.051 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.13 HN Overlap>> 1.L99 1.L99 1.V164 1.V164 C Shift Assignments>> C :: 176.526 CA :: 56.647 CB :: 32.653 CG :: 25.064 CD :: 28.712 CE :: 41.845 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.287 HA :: 4.018 HB2 :: 1.835 HB3 :: 1.890 HG2 :: 1.276 HG3 :: 1.337 HD2 :: 1.545 HD3 :: 1.545 HE2 :: 2.880 HE3 :: 2.880 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.249 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.47 C 0.4 E 0.11 C Shift Assignments>> C :: 175.903 CA :: 56.305 CB :: 30.457 CG :: 33.854 CD :: 180.107 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.269 HA :: 4.394 HB2 :: 2.212 HB3 :: 1.983 HG2 :: 2.345 HG3 :: 2.271 HE21 :: 6.816 HE22 :: 7.497 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.943 NE2 :: 112.147 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.37 R 0.15 G 0.01 C Shift Assignments>> C :: 174.078 CA :: 53.786 CB :: 35.759 CG :: 25.366 CD :: 28.719 CE :: 42.029 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.334 HA :: 4.586 HB2 :: 2.165 HB3 :: 1.573 HG2 :: 1.540 HG3 :: 1.258 HD2 :: 1.444 HD3 :: 1.444 HE2 :: 2.893 HE3 :: 2.893 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.842 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.2 A 0.09 K 0.08 P 0.08 C Shift Assignments>> C :: 174.689 CA :: 50.654 CB :: 23.920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.746 HA :: 4.952 HB1 :: 1.210 HB2 :: 1.210 HB3 :: 1.210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.728 Ave N Shift Values>> N :: 123.23(3.54) 1.L99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.43 L 0.3 C 0.14 A 0.11 HN Overlap>> 1.K95 1.V164 1.K95 1.V164 C Shift Assignments>> C :: 175.094 CA :: 53.485 CB :: 44.625 CG :: 25.950 CD1 :: 22.547 CD2 :: 24.312 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.208 HA :: 4.634 HB2 :: 0.963 HB3 :: -0.699(S) HG :: 0.447 HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 HD21 :: 0.518 HD22 :: 0.518 HD23 :: 0.518 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.230 Ave N Shift Values>> N :: 121.86(3.9) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 172.668 CA :: 59.797 CB :: 33.513 CG1 :: 22.347 CG2 :: 22.478 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.295 HA :: 4.804 HB :: 1.745 HG11 :: 0.783 HG12 :: 0.783 HG13 :: 0.783 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.872 Ave N Shift Values>> N :: 121.14(4.54) 1.R101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 R 0.29 G 0.16 K 0.11 C Shift Assignments>> C :: 175.553 CA :: 52.798 CB :: 33.956 CG :: 26.679 CD :: 43.120 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.490 HA :: 5.485 HB2 :: 1.780 HB3 :: 1.558 HG2 :: 1.097 HG3 :: 1.800 HD2 :: 2.986 HD3 :: 3.092 HE :: 9.642(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.132 NE :: 85.963 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 175.552 CA :: 61.002 CB :: 33.649 CG1 :: 22.513 CG2 :: 20.141 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.406 HA :: 4.478 HB :: 1.987 HG11 :: 0.819 HG12 :: 0.819 HG13 :: 0.819 HG21 :: 0.691 HG22 :: 0.691 HG23 :: 0.691 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.448 Ave N Shift Values>> N :: 121.14(4.54) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.34 K 0.08 M 0.02 Q 0.01 HN Overlap>> 1.L105 1.L105 C Shift Assignments>> C :: 173.309 CA :: 54.797 CB :: 27.048 CG :: 30.710 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.666 HA :: 4.549 HB2 :: 1.770 HG2 :: 2.993 HE21 :: 6.993 HE22 :: 5.857 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.553 NE2 :: 107.994 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.82 C 0.09 D 0.07 C Shift Assignments>> C :: 173.931 CA :: 51.812 CB :: 38.625 CG :: 176.104 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.345 HA :: 4.687 HB2 :: 3.505 HB3 :: 1.961 HD21 :: 6.509 HD22 :: 7.940 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.558 ND2 :: 113.593 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.44 R 0.03 HN Overlap>> 1.Q103 1.Q103 C Shift Assignments>> C :: 176.833 CA :: 54.396 CB :: 40.775 CG :: 28.893 CD1 :: 25.836 CD2 :: 24.750 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.723 HA :: 4.682 HB2 :: 2.106 HB3 :: 1.751 HG :: 1.750 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.534 Ave N Shift Values>> N :: 121.86(3.9) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 172.659 CA :: 58.060 CB :: 66.357 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.227 HA :: 4.826 HB2 :: 4.040 HB3 :: 3.375 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.492 Ave N Shift Values>> N :: 116.28(3.52) 1.G107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 175.333 CA :: 45.201 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.989 HA2 :: 3.694 HA3 :: 4.379 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 132.747(S) Ave N Shift Values>> N :: 109.67(3.87) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.342 CA :: 57.925 CB :: 65.177 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.379 HA :: 4.632 HB2 :: 3.387 HB3 :: 3.690 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.625 Ave N Shift Values>> N :: 116.28(3.52) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.47 R 0.01 C Shift Assignments>> C :: 176.268 CA :: 55.744 CB :: 32.347 CG :: 24.528 CE :: 40.995 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.695 HA :: 4.573 HB2 :: 1.536 HB3 :: 1.742 HG2 :: 1.060 HG3 :: 0.950 HE2 :: 2.838 HE3 :: 2.838 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.644 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 G 0.32 A 0.14 L 0.11 C Shift Assignments>> C :: 175.514 CA :: 53.902 CB :: 46.978 CG :: 27.263 CD1 :: 27.137 CD2 :: 22.838 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.905 HA :: 5.193 HB2 :: 1.308 HB3 :: 1.307 HG :: 1.430 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 HD21 :: 0.671 HD22 :: 0.671 HD23 :: 0.671 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.493 Ave N Shift Values>> N :: 121.86(3.9) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 T 0.44 C Shift Assignments>> C :: 172.174 CA :: 61.319 CB :: 73.289 CG2 :: 22.499 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.031 HA :: 4.949 HB :: 3.933 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.367 Ave N Shift Values>> N :: 115.42(4.75) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.29 C 0.15 A 0.02 C Shift Assignments>> C :: 174.796 CA :: 53.335 CB :: 45.864 CG :: 26.979 CD1 :: 25.568 CD2 :: 23.728 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.560 HA :: 5.140 HB2 :: 1.943 HB3 :: 1.087 HG :: 1.409 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.809 HD22 :: 0.809 HD23 :: 0.809 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.855 Ave N Shift Values>> N :: 121.86(3.9) 1.K113 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 R 0.34 C Shift Assignments>> C :: 176.512 CA :: 55.164 CB :: 37.640 CG :: 28.742(S) CD :: 27.322 CE :: 41.522 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.156 HA :: 5.372 HB2 :: 1.616 HB3 :: 1.675 HG2 :: 0.580 HG3 :: -0.036(S) HD2 :: 1.455 HD3 :: 1.455 HE2 :: 2.124(S) HE3 :: 2.124(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.478 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.33 C Shift Assignments>> C :: 176.984 CA :: 63.417 CB :: 69.119 CG2 :: 23.799 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.340 HA :: 4.440 HB :: 4.724 HG21 :: 1.189 HG22 :: 1.189 HG23 :: 1.189 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.413 Ave N Shift Values>> N :: 115.42(4.75) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 177.610 CA :: 55.406 CB :: 18.048 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.263 HA :: 3.956 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.679 Ave N Shift Values>> N :: 123.23(3.54) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.29 L 0.13 F 0.08 Y 0.07 C 0.06 K 0.01 C Shift Assignments>> C :: 177.437 CA :: 53.570 CB :: 40.083 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.848 HA :: 4.395 HB2 :: 2.999 HB3 :: 2.689 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.872 Ave N Shift Values>> N :: 120.65(3.86) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.727 CA :: 45.723 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.674 HA2 :: 4.012 HA3 :: 3.244 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.862 Ave N Shift Values>> N :: 109.67(3.87) 1.K118 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 R 0.15 C Shift Assignments>> C :: 176.982 CA :: 58.261 CB :: 33.286 CG :: 28.767(S) CD :: 25.319(S) CE :: 41.836 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.100 HA :: 4.013 HB2 :: 1.708 HB3 :: 1.705 HG2 :: 1.543 HG3 :: 1.541 HD2 :: 1.220 HD3 :: 1.176 HE2 :: 2.893 HE3 :: 2.893 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T119 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 :: 177.765 CA :: 61.641 CB :: 70.372 CG2 :: 21.443 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.219 HA :: 4.424 HB :: 4.108 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.507 Ave N Shift Values>> N :: 115.42(4.75) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.16 F 0.11 Y 0.08 C 0.05 N 0.05 R 0.02 C Shift Assignments>> C :: 175.173 CA :: 55.229 CB :: 41.360 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.746 HA :: 4.479 HB2 :: 2.476 HB3 :: 2.034 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.176 Ave N Shift Values>> N :: 120.65(3.86) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 175.549 CA :: 64.574 CB :: 32.638 CG1 :: 21.318 CG2 :: 21.310 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.000 HA :: 3.945 HB :: 1.609 HG11 :: 0.809 HG12 :: 0.809 HG13 :: 0.809 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.478 Ave N Shift Values>> N :: 121.14(4.54) 1.V122 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 :: 174.098 CA :: 61.821 CB :: 34.652 CG1 :: 22.069 CG2 :: 21.566 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.620 HA :: 4.216 HB :: 1.782 HG11 :: 0.751 HG12 :: 0.751 HG13 :: 0.751 HG21 :: 0.749 HG22 :: 0.749 HG23 :: 0.749 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.605 Ave N Shift Values>> N :: 121.14(4.54) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.1 C Shift Assignments>> C :: 174.824 CA :: 55.739 CB :: 35.803 CG :: 25.035 CD :: 29.217 CE :: 41.787 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.978 HA :: 4.552 HB2 :: 1.715 HB3 :: 1.455 HG2 :: 1.222 HG3 :: 1.181 HD2 :: 1.538 HD3 :: 1.538 HE2 :: 2.888 HE3 :: 2.888 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.009 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 F 0.18 Y 0.18 N 0.17 C 0.11 L 0.09 I 0.02 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> C :: 174.212 CA :: 55.450 CB :: 39.387 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.355 HA :: 3.740 HB2 :: 2.595 HB3 :: 2.519 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.843 Ave N Shift Values>> N :: 120.65(3.86) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 177.189 CA :: 62.068 CB :: 31.084 CG1 :: 22.641 CG2 :: 22.269 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.296 HA :: 3.874 HB :: 1.899 HG11 :: 0.771 HG12 :: 0.771 HG13 :: 0.771 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.232 Ave N Shift Values>> N :: 121.14(4.54) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 177.189 CA :: 44.760 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.756 HA2 :: 3.793 HA3 :: 3.946 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.420 Ave N Shift Values>> N :: 109.67(3.87) 1.P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.632 CA :: 63.807 CB :: 33.034 CG :: 27.487 CD :: 50.094 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.051 HB2 :: 2.425 HB3 :: 1.802 HG2 :: 1.922 HG3 :: 1.579 HD2 :: 3.457 HD3 :: 3.147 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 Q 0.27 C Shift Assignments>> C :: 174.807 CA :: 56.082 CB :: 25.445 CG :: 33.462 CD :: 180.544 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.109 HA :: 4.056 HB2 :: 2.209 HB3 :: 2.323 HG2 :: 2.416 HG3 :: 2.280 HE21 :: 7.369 HE22 :: 6.798 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.922 NE2 :: 111.753 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.202 CA :: 56.833 CB :: 65.196 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.882 HA :: 4.950 HB2 :: 3.730 HB3 :: 3.781 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.567 Ave N Shift Values>> N :: 116.28(3.52) 1.H130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 H 0.33 W 0.19 C Shift Assignments>> CA :: 54.084 CB :: 33.434 CD2 :: 120.695 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.109 HA :: 6.011 HB2 :: 2.826 HB3 :: 3.010 HD2 :: 6.929 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.376 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 170.847 CA :: 45.610 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.099 HA2 :: 4.247 HA3 :: 3.508 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.528 Ave N Shift Values>> N :: 109.67(3.87) 1.D132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.78 L 0.13 C 0.02 D 0.01 R 0.01 C Shift Assignments>> C :: 176.417 CA :: 53.349 CB :: 45.255 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.471 HA :: 5.648(S) HB2 :: 2.519 HB3 :: 2.582 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.191 Ave N Shift Values>> N :: 120.65(3.86) 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.24 K 0.23 G 0.03 C Shift Assignments>> C :: 174.136 CA :: 55.052 CB :: 34.252 CG :: 26.801 CD :: 42.577 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.751 HA :: 4.426 HB2 :: 1.777 HB3 :: 1.470 HG2 :: 1.535 HG3 :: 1.646 HD2 :: 3.336 HD3 :: 3.479 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.735 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.35 M 0.11 I 0.02 C Shift Assignments>> C :: 176.482 CA :: 55.999 CB :: 30.912 CG :: 37.557 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.717 HA :: 4.961 HB2 :: 2.003 HB3 :: 1.870 HG2 :: 2.411 HG3 :: 2.170 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.516 Ave N Shift Values>> N :: 120.67(3.48) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.28 G 0.11 C Shift Assignments>> C :: 173.799 CA :: 59.578 CB :: 43.196 CG1 :: 26.459 CG2 :: 17.083 CD1 :: 13.947 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.049 HA :: 4.639 HB :: 1.664 HG12 :: 1.013 HG13 :: 1.323 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 HD11 :: 0.657 HD12 :: 0.657 HD13 :: 0.657 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.983 Ave N Shift Values>> N :: 121.46(4.28) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.81 C 0.15 D 0.02 C Shift Assignments>> C :: 173.799 CA :: 52.031 CB :: 37.175 CG :: 176.297 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.182 HA :: 4.862 HB2 :: 2.622 HB3 :: 2.741 HD21 :: 7.616 HD22 :: 7.146 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.173 ND2 :: 113.592 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 174.527 CA :: 63.632 CB :: 30.241 CG :: 28.238 CD :: 50.276 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.089 HB2 :: 1.668 HB3 :: 2.106 HG2 :: 2.110 HG3 :: 2.110 HD2 :: 3.703 HD3 :: 3.703 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.22 C Shift Assignments>> C :: 173.756 CA :: 59.696 CB :: 35.312 CG1 :: 21.340 CG2 :: 18.818 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.507 HA :: 4.455 HB :: 2.223 HG11 :: 0.734 HG12 :: 0.734 HG13 :: 0.734 HG21 :: 0.757 HG22 :: 0.757 HG23 :: 0.757 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.539 Ave N Shift Values>> N :: 121.14(4.54) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.4 R 0.07 C Shift Assignments>> C :: 176.408 CA :: 55.961 CB :: 32.562 CG :: 24.633 CD :: 29.533 CE :: 41.964 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.883 HA :: 4.968 HB2 :: 1.656 HB3 :: 1.557 HG2 :: 1.027 HG3 :: 1.101 HD2 :: 1.544 HD3 :: 1.544 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.958 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.34 C Shift Assignments>> C :: 173.720 CA :: 59.522 CB :: 35.157 CG1 :: 21.500 CG2 :: 19.941 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.752 HA :: 4.657 HB :: 1.817 HG11 :: 0.751 HG12 :: 0.751 HG13 :: 0.751 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.851 Ave N Shift Values>> N :: 121.14(4.54) 1.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.22 C 0.09 C Shift Assignments>> C :: 173.845 CA :: 52.711 CB :: 39.362 CG :: 176.787 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.591 HA :: 5.056 HB2 :: 2.705 HB3 :: 2.705 HD21 :: 7.529 HD22 :: 6.746 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.542 ND2 :: 111.685 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.17 L 0.12 R 0.01 C Shift Assignments>> C :: 175.057 CA :: 53.496 CB :: 45.301 CG :: 27.457 CD1 :: 26.721 CD2 :: 26.612 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.118 HA :: 5.119 HB2 :: 1.963 HB3 :: 1.719 HG :: 1.568 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 HD21 :: 0.972 HD22 :: 0.972 HD23 :: 0.972 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.029 Ave N Shift Values>> N :: 121.86(3.9) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.16 K 0.15 A 0.03 P 0.02 R 0.01 C Shift Assignments>> C :: 174.246 CA :: 51.782 CB :: 24.257 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.349 HA :: 4.793 HB1 :: 1.512 HB2 :: 1.512 HB3 :: 1.512 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.839 Ave N Shift Values>> N :: 123.23(3.54) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.29 C 0.19 A 0.03 C Shift Assignments>> C :: 174.688 CA :: 53.325 CB :: 46.266 CG :: 26.464 CD1 :: 25.663 CD2 :: 23.740 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.480 HA :: 5.092 HB2 :: 1.089 HB3 :: 1.628 HG :: 1.408 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.462 Ave N Shift Values>> N :: 121.86(3.9) 1.F145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 Y 0.14 G 0.13 F 0.12 C Shift Assignments>> C :: 173.591 CA :: 57.058 CB :: 42.739 CD1 :: 131.415 CE1 :: 129.565 CZ :: 125.034 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.739 HA :: 4.995 HB2 :: 3.041 HB3 :: 2.833 HD1 :: 6.932 HD2 :: 6.932 HE1 :: 7.189 HE2 :: 7.189 HZ :: 6.908 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.714 Ave N Shift Values>> N :: 120.45(4.18) 1.D146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.17 K 0.07 C 0.05 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 177.229 CA :: 52.079 CB :: 41.487 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.874 HA :: 4.932 HB2 :: 2.688 HB3 :: 2.246 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.534 Ave N Shift Values>> N :: 120.65(3.86) 1.G147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 177.229 CA :: 46.941 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.640 HA2 :: 4.080 HA3 :: 3.652 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.944 Ave N Shift Values>> N :: 109.67(3.87) 1.S148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.024 CA :: 58.462 CB :: 63.744 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.987 HA :: 4.487 HB2 :: 3.878 HB3 :: 4.010 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.605 Ave N Shift Values>> N :: 116.28(3.52) 1.K149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.37 R 0.04 C Shift Assignments>> C :: 174.600 CA :: 55.026 CB :: 34.065 CG :: 24.495 CD :: 28.971 CE :: 41.800 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.097 HA :: 4.443 HB2 :: 1.886 HB3 :: 1.815 HG2 :: 1.362 HG3 :: 1.272 HD2 :: 1.636 HD3 :: 1.636 HE2 :: 2.927 HE3 :: 2.927 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.594 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 K 0.44 C Shift Assignments>> C :: 176.423 CA :: 57.595 CB :: 31.323 CG :: 25.162 CD :: 27.899 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.667 HB2 :: 1.020 HB3 :: 1.419 HG2 :: 0.415(S) HG3 :: 0.722 HD2 :: 2.784(S) HD3 :: 2.784(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.762 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 176.326 CA :: 62.843 CB :: 33.037 CG1 :: 21.633 CG2 :: 20.780 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.045 HA :: 4.069 HB :: 1.736 HG11 :: 0.824 HG12 :: 0.824 HG13 :: 0.824 HG21 :: 0.666 HG22 :: 0.666 HG23 :: 0.666 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.156 Ave N Shift Values>> N :: 121.14(4.54) 1.S152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.088 CA :: 58.466 CB :: 65.579 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.145 HA :: 4.451 HB2 :: 3.699 HB3 :: 3.406 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.074 Ave N Shift Values>> N :: 116.28(3.52) 1.D153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 K 0.17 F 0.12 Y 0.09 C 0.06 N 0.04 R 0.02 C Shift Assignments>> C :: 175.750 CA :: 55.572 CB :: 41.388 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.739 HA :: 4.865 HB2 :: 2.474 HB3 :: 2.715 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.451 Ave N Shift Values>> N :: 120.65(3.86) 1.L154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.3 C 0.23 G 0.07 A 0.04 HN Overlap>> 1.T34 1.V169 1.C166 1.T34 1.V169 1.C166 C Shift Assignments>> C :: 177.003 CA :: 53.329 CB :: 42.999 CG :: 27.435 CD1 :: 27.872 CD2 :: 23.553 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.165 HA :: 4.658 HB2 :: 1.883 HB3 :: 1.511 HG :: 1.395 HD11 :: 0.515 HD12 :: 0.515 HD13 :: 0.515 HD21 :: 0.557 HD22 :: 0.557 HD23 :: 0.557 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.465 Ave N Shift Values>> N :: 121.86(3.9) 1.K155 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 R 0.31 G 0.01 C Shift Assignments>> C :: 177.003 CA :: 55.309 CB :: 32.029 CG :: 29.126(S) CD :: 25.461 CE :: 41.997 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.891 HA :: 4.539 HB2 :: 1.893 HB3 :: 2.044 HG2 :: 1.866 HG3 :: 1.864 HD2 :: 1.720 HD3 :: 1.780 HE2 :: 3.110 HE3 :: 3.110 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.957 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.460 CA :: 63.348 CB :: 32.208 CG :: 27.697 CD :: 50.750 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.663 HB2 :: 2.208 HB3 :: 1.668 HG2 :: 2.064 HG3 :: 2.063 HD2 :: 3.971 HD3 :: 3.669 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V157 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.76 V 0.23 C Shift Assignments>> C :: 172.439 CA :: 59.317 CB :: 35.180 CG1 :: 20.593 CG2 :: 19.210 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.686 HA :: 4.227 HB :: 0.751(S) HG11 :: 0.004 HG12 :: 0.004 HG13 :: 0.004 HG21 :: -0.271(S) HG22 :: -0.271(S) HG23 :: -0.271(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.867 Ave N Shift Values>> N :: 121.14(4.54) 1.T158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.K83 1.K83 C Shift Assignments>> C :: 173.294 CA :: 61.943 CB :: 68.814 CG2 :: 21.709 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.465 HA :: 4.329 HB :: 3.798 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.648 Ave N Shift Values>> N :: 115.42(4.75) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 R 0.28 C 0.23 G 0.06 C Shift Assignments>> C :: 174.470 CA :: 54.132 CB :: 43.049 CG :: 27.752 CD1 :: 26.729 CD2 :: 25.546 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.650 HA :: 4.331 HB2 :: 1.535 HB3 :: 1.234 HG :: 1.418 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 HD21 :: 0.489 HD22 :: 0.489 HD23 :: 0.489 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.441 Ave N Shift Values>> N :: 121.86(3.9) 1.A160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 C 0.04 L 0.04 C Shift Assignments>> C :: 176.788 CA :: 49.772 CB :: 21.146 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.553 HA :: 4.489 HB1 :: 1.254 HB2 :: 1.254 HB3 :: 1.254 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.328 Ave N Shift Values>> N :: 123.23(3.54) 1.R161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.43 G 0.08 K 0.04 C Shift Assignments>> C :: 177.438 CA :: 58.189 CB :: 29.847 CG :: 27.832 CD :: 43.509 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.419 HA :: 3.424 HB2 :: 1.760 HB3 :: 1.646 HG2 :: 1.564 HG3 :: 1.614 HD2 :: 3.230 HD3 :: 3.230 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.848 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.270 CA :: 46.044 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.688 HA2 :: 4.112 HA3 :: 4.031 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.700 Ave N Shift Values>> N :: 109.67(3.87) 1.E163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.26 E 0.25 Q 0.01 C Shift Assignments>> C :: 174.391 CA :: 55.713 CB :: 32.529 CG :: 36.573 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.869 HA :: 4.442 HB2 :: 2.079 HB3 :: 1.825 HG2 :: 2.234 HG3 :: 2.080 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.869 Ave N Shift Values>> N :: 120.67(3.48) 1.V164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 HN Overlap>> 1.L99 1.K95 1.L99 1.K95 C Shift Assignments>> C :: 176.908 CA :: 60.440 CB :: 33.438 CG1 :: 22.538 CG2 :: 21.216 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.292 HA :: 4.709 HB :: 1.928 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.232 Ave N Shift Values>> N :: 121.14(4.54) 1.V165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 HN Overlap>> 1.A88 1.A88 C Shift Assignments>> C :: 173.841 CA :: 61.902 CB :: 33.514 CG1 :: 22.474 CG2 :: 22.210 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.981 HA :: 4.349 HB :: 1.752 HG11 :: 0.849 HG12 :: 0.849 HG13 :: 0.849 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.453 Ave N Shift Values>> N :: 121.14(4.54) 1.C166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 Q 0.13 W 0.12 E 0.12 C 0.12 M 0.08 K 0.07 HN Overlap>> 1.V169 1.V169 1.L154 1.L154 C Shift Assignments>> C :: 173.419 CA :: 55.397 CB :: 30.198 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.234 HA :: 5.842 HB2 :: 2.586 HB3 :: 3.101 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.453 Ave N Shift Values>> N :: 120.17(4.64) 1.L167 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.34 L 0.29 C 0.23 R 0.11 C Shift Assignments>> C :: 175.809 CA :: 52.966 CB :: 41.692 CG :: 27.903 CD1 :: 27.052 CD2 :: 21.832 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.906 HA :: 4.581 HB2 :: 0.950 HB3 :: 1.629 HG :: 0.348(S) HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 HD21 :: -0.653(S) HD22 :: -0.653(S) HD23 :: -0.653(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.867 Ave N Shift Values>> N :: 121.86(3.9) 1.Y168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.37 C 0.17 C Shift Assignments>> C :: 176.104 CA :: 58.509 CB :: 40.972 CD2 :: 131.923 CE2 :: 117.033 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.041 HA :: 4.674 HB2 :: 2.443 HB3 :: 2.367 HD1 :: 6.625 HD2 :: 6.625 HE1 :: 6.412 HE2 :: 6.412 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 129.672 Ave N Shift Values>> N :: 120.52(4.2) 1.V169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 HN Overlap>> 1.C166 1.L154 1.C166 1.L154 C Shift Assignments>> C :: 174.661 CA :: 61.155 CB :: 32.895 CG1 :: 22.822 CG2 :: 20.305 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.247 HA :: 4.637 HB :: 2.001 HG11 :: 0.673 HG12 :: 0.673 HG13 :: 0.673 HG21 :: 0.520 HG22 :: 0.520 HG23 :: 0.520 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.515 Ave N Shift Values>> N :: 121.14(4.54) 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.32 C Shift Assignments>> C :: 173.576 CA :: 58.802 CB :: 70.775 CG2 :: 22.196 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.363 HA :: 4.566 HB :: 4.404 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.726 Ave N Shift Values>> N :: 115.42(4.75) 1.G171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.226 CA :: 44.773 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.788 HA2 :: 4.436 HA3 :: 4.141 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.923 Ave N Shift Values>> N :: 109.67(3.87) 1.S172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 S 0.36 C Shift Assignments>> C :: 173.226 CA :: 56.813 CB :: 67.539 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.686 HA :: 4.914 HB2 :: 3.708 HB3 :: 4.517 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.184 Ave N Shift Values>> N :: 116.28(3.52) 1.G173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.965 CA :: 45.655 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.812 HA3 :: 4.006 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.832 CA :: 45.020 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.650 HA2 :: 3.747 HA3 :: 4.044 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.761 Ave N Shift Values>> N :: 109.67(3.87) 1.K175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.31 R 0.12 C Shift Assignments>> C :: 175.516 CA :: 54.710 CB :: 32.997 CG :: 24.617 CD :: 28.929 CE :: 42.151 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.724 HA :: 4.552 HB2 :: 1.874 HB3 :: 1.748 HG2 :: 1.362 HG3 :: 1.362 HD2 :: 1.647 HD3 :: 1.651 HE2 :: 3.033 HE3 :: 2.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.554 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.2 C 0.19 R 0.08 A 0.02 C Shift Assignments>> C :: 176.851 CA :: 54.370 CB :: 44.054 CG :: 26.934 CD1 :: 26.255 CD2 :: 23.415 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.191 HA :: 4.726 HB2 :: 0.903 HB3 :: 1.575 HG :: 1.533 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 HD21 :: 0.652 HD22 :: 0.652 HD23 :: 0.652 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.967 Ave N Shift Values>> N :: 121.86(3.9) 1.A177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 G 0.03 M 0.01 C 0.01 C Shift Assignments>> C :: 176.851 CA :: 49.164 CB :: 19.483 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.841 HA :: 4.921 HB1 :: 1.202 HB2 :: 1.202 HB3 :: 1.202 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.200 Ave N Shift Values>> N :: 123.23(3.54) 1.P178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.72 P 0.27 C Shift Assignments>> C :: 176.022 CA :: 60.178 CB :: 32.141 CG :: 27.081 CD :: 49.828 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.231 HB2 :: 1.547 HB3 :: 1.639 HG2 :: 2.162 HG3 :: 2.162 HD2 :: 3.733 HD3 :: 3.411 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.16 C Shift Assignments>> C :: 175.403 CA :: 61.458 CB :: 37.606 CG1 :: 22.406 CG2 :: 21.457 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.061 HA :: 4.067 HB :: 1.926 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.613 Ave N Shift Values>> N :: 121.14(4.54) 1.W180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> C :: 176.699 CA :: 56.713 CB :: 30.646 CD1 :: 127.590 CE3 :: 121.364 CZ2 :: 115.198 CZ3 :: 122.050 CH2 :: 122.206 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.534 HA :: 5.285 HB2 :: 3.155 HB3 :: 2.803 HD1 :: 7.121 HE1 :: 10.105 HE3 :: 7.363 HZ2 :: 7.379 HZ3 :: 6.633 HH2 :: 6.714 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.012 NE1 :: 127.520 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V181 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 :: 174.905 CA :: 62.663 CB :: 33.641 CG1 :: 21.518 CG2 :: 19.245 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 10.163 HA :: 4.157 HB :: 1.815 HG11 :: 0.129 HG12 :: 0.129 HG13 :: 0.129 HG21 :: 0.566 HG22 :: 0.566 HG23 :: 0.566 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.659 Ave N Shift Values>> N :: 121.14(4.54) 1.K182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.35 R 0.05 A 0.01 C Shift Assignments>> C :: 174.692 CA :: 54.340 CB :: 36.511 CG :: 24.539 CD :: 29.537 CE :: 41.469 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.647 HA :: 4.860 HB2 :: 1.683 HB3 :: 1.855 HG2 :: 1.402 HG3 :: 1.402 HD2 :: 1.546 HD3 :: 1.546 HE2 :: 2.844 HE3 :: 2.890 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.212 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R183 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 A 0.32 G 0.25 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 174.692 CA :: 54.868 CB :: 30.300 CG :: 20.788(S) CD :: 44.055 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.164 HA :: 4.769 HB2 :: 2.031 HB3 :: 1.743 HG2 :: 1.037 HG3 :: 1.037 HD2 :: 3.379 HD3 :: 3.499 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.764 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.277 CA :: 62.799 CB :: 31.769 CG :: 27.875 CD :: 50.110 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.510 HB2 :: 2.330 HB3 :: 1.955 HG2 :: 2.146 HG3 :: 2.144 HD2 :: 3.757 HD3 :: 3.463 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V185 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 :: 176.201 CA :: 61.584 CB :: 33.202 CG1 :: 21.427 CG2 :: 20.538 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.149 HA :: 4.135 HB :: 2.032 HG11 :: 0.889 HG12 :: 0.889 HG13 :: 0.889 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.082 Ave N Shift Values>> N :: 121.14(4.54) 1.K186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.09 C Shift Assignments>> C :: 176.246 CA :: 56.348 CB :: 32.987 CG :: 24.824 CD :: 28.952 CE :: 41.841 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.423 HA :: 4.273 HB2 :: 1.804 HB3 :: 1.746 HG2 :: 1.422 HG3 :: 1.422 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.974 HE3 :: 2.974 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.722 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.02 C Shift Assignments>> C :: 177.369 CA :: 52.590 CB :: 19.407 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.381 HA :: 4.262 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.502 Ave N Shift Values>> N :: 123.23(3.54) 1.D188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.12 F 0.09 K 0.08 Y 0.07 C 0.05 C Shift Assignments>> C :: 176.367 CA :: 54.265 CB :: 40.999 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.284 HA :: 4.555 HB2 :: 2.617 HB3 :: 2.704 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.376 Ave N Shift Values>> N :: 120.65(3.86) 1.L189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.28 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 177.535 CA :: 55.335 CB :: 42.262 CG :: 27.102 CD1 :: 25.233 CD2 :: 23.605 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.086 HA :: 4.249 HB2 :: 1.525 HB3 :: 1.601 HG :: 1.599 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.780 Ave N Shift Values>> N :: 121.86(3.9) 1.E190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.08 K 0.06 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.266 CA :: 56.689 CB :: 30.146 CG :: 36.276 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.218 HA :: 4.128 HB2 :: 1.857 HB3 :: 1.857 HG2 :: 2.176 HG3 :: 2.095 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.262 Ave N Shift Values>> N :: 120.67(3.48) 1.H191 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> H 0.37 W 0.33 C 0.28 C Shift Assignments>> CA :: 55.977 CB :: 30.395 CD2 :: 119.615 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.148 HA :: 4.530 HB2 :: 3.019 HB3 :: 2.956 HD2 :: 0.264(A) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.284 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H192 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.18 C Shift Assignments>> CA :: 57.407 CB :: 46.978(A) CD2 :: 119.959 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.025 HA :: 4.770 HB2 :: 3.010 HB3 :: 3.010 HD2 :: 7.000 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.487 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.14 H 0.14 C 0.13 Q 0.11 M 0.07 K 0.06 V 0.01 I 0.01 C Shift Assignments>> CA :: 57.290 CB :: 30.518 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.012 HA :: 4.387 HB2 :: 3.160 HB3 :: 3.015 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 126.000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H194 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H195 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H196 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 180 #Clerical: 0 #Suspicious: 13 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 187 #Suspicious: 3 #Mistyped: 2 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 196 #Suspicious: 0 C Shift Results: #Consistent: 809 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 H Shift Results: #Consistent:1293 #Duplicate: 0 #Unknown: 0 #Suspicious: 23 #Anomalous: 1 N Shift Results: #Consistent: 189 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Y73 HD1 = 5.847(S), Expected = 6.93, Std = 0.3000, ChiSquare = 3.0620e-04 1.Y73 HD2 = 5.847(S), Expected = 6.93, Std = 0.3000, ChiSquare = 3.0620e-04 1.Y73 HE1 = 5.817(S), Expected = 6.70, Std = 0.2300, ChiSquare = 1.2347e-04 1.Y73 HE2 = 5.817(S), Expected = 6.71, Std = 0.2300, ChiSquare = 1.0334e-04 1.E89 HB2 = 2.744(S), Expected = 2.02, Std = 0.2100, ChiSquare = 5.6555e-04 1.N94 H = 6.093(S), Expected = 8.34, Std = 0.6300, ChiSquare = 3.6155e-04 1.L99 HB3 = -0.699(S), Expected = 1.52, Std = 0.3600, ChiSquare = 7.0980e-10 1.R101 HE = 9.642(S), Expected = 7.40, Std = 0.6300, ChiSquare = 3.7265e-04 1.G107 N = 132.747(S), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4757e-09 1.K113 Typing: Suspicious 1.K113 CG = 28.742(S), Expected = 24.89, Std = 1.1300, ChiSquare = 6.5237e-04 1.K113 HG3 = -0.036(S), Expected = 1.35, Std = 0.2800, ChiSquare = 7.4213e-07 1.K113 HE2 = 2.124(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.7960e-05 1.K113 HE3 = 2.124(S), Expected = 2.91, Std = 0.2000, ChiSquare = 8.4946e-05 1.K118 Typing: Suspicious 1.K118 CG = 28.767(S), Expected = 24.89, Std = 1.1300, ChiSquare = 6.0142e-04 1.K118 CD = 25.319(S), Expected = 28.96, Std = 1.0800, ChiSquare = 7.4815e-04 1.D132 HA = 5.648(S), Expected = 4.59, Std = 0.3200, ChiSquare = 9.4554e-04 1.K150 HG2 = 0.415(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.3965e-04 1.K150 HD2 = 2.784(S), Expected = 1.61, Std = 0.2200, ChiSquare = 9.4829e-08 1.K150 HD3 = 2.784(S), Expected = 1.60, Std = 0.2200, ChiSquare = 7.3737e-08 1.K155 Typing: Suspicious 1.K155 CG = 29.126(S), Expected = 24.89, Std = 1.1300, ChiSquare = 1.7777e-04 1.V157 HB = 0.751(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.2272e-04 1.V157 HG21 = -0.271(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3077e-04 1.V157 HG22 = -0.271(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3077e-04 1.V157 HG23 = -0.271(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.3077e-04 1.L167 HG = 0.348(S), Expected = 1.51, Std = 0.3300, ChiSquare = 4.2958e-04 1.L167 HD21 = -0.653(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.8517e-06 1.L167 HD22 = -0.653(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.8517e-06 1.L167 HD23 = -0.653(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.8517e-06 1.R183 Typing: Mistyped 1.R183 CG = 20.788(S), Expected = 27.21, Std = 1.2000, ChiSquare = 8.7148e-08 1.H191 HD2 = 0.264(A), Expected = 7.00, Std = 0.4300, ChiSquare = 2.6195e-55 1.H192 Typing: Mistyped 1.H192 CB = 46.978(A), Expected = 30.24, Std = 2.0700, ChiSquare = 6.1661e-16