Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.27 C Shift Assignments>> C :: 176.534 CA :: 063.005 CB :: 032.347 CG :: 026.965 CD :: 049.646 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 :: 004.426 HB2 :: 001.831 HB3 :: 002.259 HG2 :: 001.931 HG3 :: 001.997 HD2 :: 003.554 HD3 :: 003.554 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.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 H 0.4 HN Overlap>> 1.R17 2.Y64 1.R17 2.Y64 C Shift Assignments>> C :: 174.791 CA :: 055.778 CB :: 029.643 CD2 :: 117.312 CE1 :: 134.315 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 :: 008.706 HA :: 004.606 HB2 :: 003.103 HB3 :: 003.103 HD2 :: 007.050 HE1 :: 008.372 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 :: 119.365 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 A 0.01 C Shift Assignments>> C :: 175.739 CA :: 055.585 CB :: 032.955 CG :: 031.753 CE :: 014.260 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>> H :: 008.459 HA :: 004.417 HB2 :: 001.928 HB3 :: 001.928 HG2 :: 002.369 HG3 :: 002.465 HE1 :: 002.057 HE2 :: 002.057 HE3 :: 002.057 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) N Shift Assignments>> N :: 122.301 Ave N Shift Values>> N :: 120.09(3.57) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 F 0.22 Y 0.15 C Shift Assignments>> C :: 175.841 CA :: 057.615 CB :: 039.614 CD1 :: 129.263 CE1 :: 128.700 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 :: 008.476 HA :: 004.695 HB2 :: 003.032 HB3 :: 003.244 HD1 :: 007.334 HD2 :: 007.334 HE1 :: 007.367 HE2 :: 007.367 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 :: 120.944 Ave N Shift Values>> N :: 120.45(4.18) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> C :: 178.101 CA :: 053.481 CB :: 019.077 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 008.570 HA :: 004.278 HB1 :: 001.434 HB2 :: 001.434 HB3 :: 001.434 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.699 Ave N Shift Values>> N :: 123.23(3.54) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.19 C 0.18 HN Overlap>> 2.L114 2.L114 C Shift Assignments>> C :: 176.514 CA :: 054.370 CB :: 038.701 CG :: 176.825 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 :: 008.576 HA :: 004.655 HB2 :: 002.891 HB3 :: 002.891 HD21 :: 007.795 HD22 :: 007.049 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 :: 117.996 ND2 :: 113.468 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.12 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.264 CA :: 058.621 CB :: 029.448 CG :: 036.273 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 :: 008.717 HA :: 004.252 HB2 :: 002.087 HB3 :: 002.087 HG2 :: 002.346 HG3 :: 002.346 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 :: 120.721 Ave N Shift Values>> N :: 120.67(3.48) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.3 D 0.09 C Shift Assignments>> C :: 176.919 CA :: 054.924 CB :: 038.904 CG :: 175.361 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 :: 008.312 HA :: 004.724 HB2 :: 002.657 HB3 :: 002.844 HD21 :: 007.072 HD22 :: 007.548 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 :: 116.864 ND2 :: 112.332 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 062.242 CB :: 062.733 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 008.212 HA :: 004.090 HB2 :: 004.114 HB3 :: 004.114 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 :: 115.959 Ave N Shift Values>> N :: 116.28(3.52) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.28 E 0.25 C Shift Assignments>> C :: 177.328 CA :: 059.162 CB :: 029.778 CG :: 035.113 CD :: 179.959 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 :: 008.203 HA :: 004.419 HB2 :: 002.210 HB3 :: 002.210 HG2 :: 002.515 HG3 :: 002.657 HE21 :: 006.937 HE22 :: 007.607 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 :: 119.356 NE2 :: 110.742 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.41 R 0.07 G 0.01 HN Overlap>> 1.E33 1.E33 C Shift Assignments>> C :: 178.180 CA :: 058.290 CB :: 042.351 CG :: 026.898 CD1 :: 025.052 CD2 :: 025.612 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 :: 007.736 HA :: 003.855 HB2 :: 001.763 HB3 :: 001.763 HG :: 001.763 HD11 :: 000.894 HD12 :: 000.894 HD13 :: 000.894 HD21 :: 001.011 HD22 :: 001.011 HD23 :: 001.011 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 :: 118.905 Ave N Shift Values>> N :: 121.86(3.9) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.39 R 0.01 C Shift Assignments>> C :: 178.689 CA :: 057.879 CB :: 040.909 CG :: 026.603 CD1 :: 022.695 CD2 :: 026.211 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 :: 007.783 HA :: 003.995 HB2 :: 001.575 HB3 :: 002.114 HG :: 002.069 HD11 :: 000.870 HD12 :: 000.870 HD13 :: 000.870 HD21 :: 001.035 HD22 :: 001.035 HD23 :: 001.035 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 :: 115.957 Ave N Shift Values>> N :: 121.86(3.9) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 D 0.08 L 0.08 I 0.08 N 0.02 K 0.01 HN Overlap>> 2.L47 2.L47 C Shift Assignments>> C :: 178.022 CA :: 057.635 CB :: 039.933 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 :: 008.142 HA :: 004.560 HB2 :: 003.151 HB3 :: 003.151 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 :: 119.582 Ave N Shift Values>> N :: 120.65(3.86) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 F 0.01 C Shift Assignments>> C :: 177.232 CA :: 061.675 CB :: 039.458 CD1 :: 129.351 CE1 :: 127.661 CZ :: 125.647 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 :: 008.276 HA :: 003.550 HB2 :: 002.163 HB3 :: 003.150 HD1 :: 006.510 HD2 :: 006.510 HE1 :: 007.310 HE2 :: 007.310 HZ :: 007.075 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 :: 122.526 Ave N Shift Values>> N :: 120.45(4.18) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 177.328 CA :: 066.392 CB :: 038.244 CG1 :: 030.305 CG2 :: 014.965 CD1 :: 012.125 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 :: 008.153 HA :: 003.550 HB :: 002.069 HG12 :: 001.082 HG13 :: 002.351 HG21 :: 000.940 HG22 :: 000.940 HG23 :: 000.940 HD11 :: 001.011 HD12 :: 001.011 HD13 :: 001.011 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 :: 118.225 Ave N Shift Values>> N :: 121.46(4.28) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.38 G 0.11 K 0.02 HN Overlap>> 1.H3 1.H3 2.I112 2.I112 C Shift Assignments>> C :: 177.430 CA :: 059.822 CB :: 030.123 CG :: 027.718 CD :: 043.647 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 :: 008.594 HA :: 004.159 HB2 :: 002.045 HB3 :: 002.304 HG2 :: 001.764 HG3 :: 001.951 HD2 :: 003.384 HD3 :: 003.362 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 :: 119.358 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.E18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.7 C 0.27 E 0.02 C Shift Assignments>> C :: 179.757 CA :: 062.242 CB :: 028.062 CG :: 037.834 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 :: 007.947 HA :: 003.973 HB2 :: 001.952 HB3 :: 002.327 HG2 :: 003.028(S) HG3 :: 002.256 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 :: 117.998 Ave N Shift Values>> N :: 120.67(3.48) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.23 R 0.15 G 0.03 HN Overlap>> 2.K57 2.K57 C Shift Assignments>> C :: 179.458 CA :: 057.305 CB :: 042.586 CG :: 025.364 CD1 :: 023.829 CD2 :: 027.351 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 :: 007.865 HA :: 003.643 HB2 :: 000.917 HB3 :: 002.116 HG :: 001.950 HD11 :: 000.425 HD12 :: 000.425 HD13 :: 000.425 HD21 :: 001.011 HD22 :: 001.011 HD23 :: 001.011 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 :: 117.091 Ave N Shift Values>> N :: 121.86(3.9) 1.G20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 178.314 CA :: 045.178 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.106 HA2 :: 001.739(S) HA3 :: 003.080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.990 Ave N Shift Values>> N :: 109.67(3.87) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.17 L 0.16 D 0.14 K 0.13 C 0.09 I 0.02 N 0.02 R 0.01 C Shift Assignments>> C :: 177.906 CA :: 056.882 CB :: 040.918 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 :: 008.799 HA :: 004.513 HB2 :: 002.817 HB3 :: 002.817 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 :: 123.209 Ave N Shift Values>> N :: 120.65(3.86) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 176.069 CA :: 060.802 CB :: 031.707 CG1 :: 019.888 CG2 :: 020.948 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 :: 007.084 HA :: 004.584 HB :: 002.398 HG11 :: 000.940 HG12 :: 000.940 HG13 :: 000.940 HG21 :: 000.983 HG22 :: 000.983 HG23 :: 000.983 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 :: 109.841 Ave N Shift Values>> N :: 121.14(4.54) 1.G23 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 :: 176.824 CA :: 046.270 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 007.489 HA2 :: 004.066 HA3 :: 004.207 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.353 Ave N Shift Values>> N :: 109.67(3.87) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.31 R 0.19 A 0.02 G 0.01 C Shift Assignments>> C :: 176.062 CA :: 055.775 CB :: 042.175 CG :: 027.741 CD1 :: 026.428 CD2 :: 022.826 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 :: 007.641 HA :: 004.279 HB2 :: 001.481 HB3 :: 001.481 HG :: 001.387 HD11 :: 000.424 HD12 :: 000.424 HD13 :: 000.424 HD21 :: 000.917 HD22 :: 000.917 HD23 :: 000.917 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 :: 118.222 Ave N Shift Values>> N :: 121.86(3.9) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.16 A 0.12 C Shift Assignments>> C :: 175.901 CA :: 052.681 CB :: 040.558 CG :: 025.954 CD1 :: 025.355 CD2 :: 022.934 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 :: 008.135 HA :: 004.536 HB2 :: 001.646 HB3 :: 001.646 HG :: 000.918 HD11 :: 000.518 HD12 :: 000.518 HD13 :: 000.518 HD21 :: 000.682 HD22 :: 000.682 HD23 :: 000.682 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 :: 115.501 Ave N Shift Values>> N :: 121.86(3.9) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.3 K 0.1 Q 0.1 M 0.07 I 0.02 C Shift Assignments>> C :: 175.579 CA :: 056.308 CB :: 029.834 CG :: 035.947 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 :: 006.813 HA :: 004.108 HB2 :: 001.881 HB3 :: 001.951 HG2 :: 002.211 HG3 :: 002.328 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 :: 118.452 Ave N Shift Values>> N :: 120.67(3.48) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 Y 0.23 C Shift Assignments>> C :: 173.621 CA :: 056.231 CB :: 041.419 CD1 :: 131.154 CE1 :: 115.343 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 :: 007.853 HA :: 004.960 HB2 :: 002.798 HB3 :: 002.962 HD1 :: 007.029 HD2 :: 007.029 HE1 :: 006.840 HE2 :: 006.840 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 :: 118.904 Ave N Shift Values>> N :: 120.52(4.2) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 M 0.28 Q 0.05 C Shift Assignments>> C :: 175.181 CA :: 055.685 CB :: 031.684 CG :: 035.912 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 :: 008.394 HA :: 004.466 HB2 :: 001.880 HB3 :: 001.975 HG2 :: 002.163 HG3 :: 002.163 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 :: 121.395 Ave N Shift Values>> N :: 120.67(3.48) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.24 G 0.16 R 0.12 A 0.09 C Shift Assignments>> C :: 177.835 CA :: 054.356 CB :: 043.668 CG :: 026.719 CD1 :: 022.614 CD2 :: 026.427 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 :: 008.758 HA :: 004.678 HB2 :: 001.547 HB3 :: 001.716 HG :: 001.881 HD11 :: 000.612 HD12 :: 000.612 HD13 :: 000.612 HD21 :: 000.776 HD22 :: 000.776 HD23 :: 000.776 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 :: 124.110 Ave N Shift Values>> N :: 121.86(3.9) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.079 CA :: 057.190 CB :: 065.034 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 009.263 HA :: 004.584 HB2 :: 004.066 HB3 :: 004.348 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 :: 119.132 Ave N Shift Values>> N :: 116.28(3.52) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Q 0.42 E 0.05 C Shift Assignments>> C :: 177.237 CA :: 058.847 CB :: 028.323 CG :: 033.470 CD :: 180.346 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 :: 009.076 HA :: 003.879 HB2 :: 002.047 HB3 :: 002.234 HG2 :: 002.422 HG3 :: 002.422 HE21 :: 007.031 HE22 :: 007.912 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 :: 121.624 NE2 :: 116.184 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.49 Q 0.38 E 0.11 HN Overlap>> 2.L60 2.L60 C Shift Assignments>> C :: 178.593 CA :: 058.947 CB :: 028.291 CG :: 034.051 CD :: 180.552 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 :: 008.418 HA :: 004.161 HB2 :: 002.045 HB3 :: 002.069 HG2 :: 003.899(A) HG3 :: 003.899(A) HE21 :: 007.589 HE22 :: 006.914 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 :: 117.313 NE2 :: 112.327 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.34 I 0.09 M 0.05 K 0.01 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> C :: 178.521 CA :: 058.562 CB :: 030.657 CG :: 037.306 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 :: 007.695 HA :: 003.926 HB2 :: 001.786 HB3 :: 002.304 HG2 :: 002.212 HG3 :: 002.327 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 :: 118.901 Ave N Shift Values>> N :: 120.67(3.48) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.29 R 0.22 C Shift Assignments>> C :: 178.115 CA :: 059.848 CB :: 032.449 CG :: 026.378 CD :: 029.668 CE :: 042.137 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 :: 008.353 HA :: 003.667 HB2 :: 001.881 HB3 :: 001.881 HG2 :: 001.269 HG3 :: 001.552 HD2 :: 001.576 HD3 :: 001.576 HE2 :: 002.892 HE3 :: 002.892 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 :: 120.034 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 D 0.15 L 0.14 C 0.1 K 0.04 N 0.04 I 0.03 HN Overlap>> 2.E49 2.E49 C Shift Assignments>> C :: 178.389 CA :: 056.765 CB :: 040.323 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 :: 008.241 HA :: 004.372 HB2 :: 002.680 HB3 :: 002.799 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 :: 118.678 Ave N Shift Values>> N :: 120.65(3.86) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 177.723 CA :: 064.299 CB :: 032.482 CG1 :: 021.138 CG2 :: 021.520 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 :: 007.430 HA :: 003.949 HB :: 002.092 HG11 :: 000.912 HG12 :: 000.912 HG13 :: 000.912 HG21 :: 001.030 HG22 :: 001.030 HG23 :: 001.030 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 :: 117.093 Ave N Shift Values>> N :: 121.14(4.54) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.33 A 0.01 R 0.01 HN Overlap>> 2.I66 2.I66 C Shift Assignments>> C :: 178.012 CA :: 056.536 CB :: 041.810 CG :: 026.333 CD1 :: 024.788 CD2 :: 022.801 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 :: 008.029 HA :: 003.997 HB2 :: 000.517 HB3 :: 001.081 HG :: 001.340 HD11 :: 000.189 HD12 :: 000.189 HD13 :: 000.189 HD21 :: 000.494 HD22 :: 000.494 HD23 :: 000.494 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 :: 121.394 Ave N Shift Values>> N :: 121.86(3.9) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.33 F 0.06 HN Overlap>> 2.Q84 2.Q84 C Shift Assignments>> C :: 176.751 CA :: 057.526 CB :: 038.769 CD1 :: 128.809 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 :: 008.235 HA :: 004.748 HB2 :: 003.126 HB3 :: 003.266 HD1 :: 007.263 HD2 :: 007.263 HE1 :: 007.318 HE2 :: 007.318 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 :: 117.087 Ave N Shift Values>> N :: 120.45(4.18) 1.G39 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 :: 173.341 CA :: 045.481 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 007.888 HA2 :: 004.043 HA3 :: 004.043 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.844 Ave N Shift Values>> N :: 109.67(3.87) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 178.797 CA :: 059.975 CB :: 064.922 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 007.930 HA :: 004.349 HB2 :: 003.902 HB3 :: 003.902 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 :: 120.944 Ave N Shift Values>> N :: 116.28(3.52) 1.S41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.21 C 0.12 C Shift Assignments>> C :: 174.968 CA :: 053.401 CB :: 039.048 CG :: 176.741 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>> HA :: 004.843 HB2 :: 002.921 HB3 :: 002.921 HD21 :: 006.995 HD22 :: 007.695 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>> ND2 :: 113.007 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.37 R 0.12 G 0.01 HN Overlap>> 2.D82 2.D82 C Shift Assignments>> C :: 175.027 CA :: 055.767 CB :: 033.743 CG :: 024.865 CD :: 028.990 CE :: 042.468 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 :: 008.512 HA :: 004.465 HB2 :: 001.740 HB3 :: 001.740 HG2 :: 001.483 HG3 :: 001.483 HD2 :: 001.710 HD3 :: 001.710 HE2 :: 003.017 HE3 :: 003.017 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 :: 122.075 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 174.116 CA :: 060.943 CB :: 071.456 CG2 :: 021.419 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 :: 007.989 HA :: 004.536 HB :: 003.902 HG21 :: 001.199 HG22 :: 001.199 HG23 :: 001.199 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 :: 115.276 Ave N Shift Values>> N :: 115.42(4.75) 2.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 L 0.27 A 0.01 C Shift Assignments>> C :: 175.976 CA :: 055.472 CB :: 039.808 CG :: 029.096 CD1 :: 024.065 CD2 :: 025.238 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 :: 008.893 HA :: 004.231 HB2 :: 001.340 HB3 :: 002.314 HG :: 001.481 HD11 :: 000.353 HD12 :: 000.353 HD13 :: 000.353 HD21 :: 000.446 HD22 :: 000.446 HD23 :: 000.446 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 :: 125.923 Ave N Shift Values>> N :: 121.86(3.9) 2.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> C :: 178.311 CA :: 059.171 CB :: 032.803 CG :: 024.587 CD :: 028.923 CE :: 042.159 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 :: 007.613 HA :: 003.855 HB2 :: 001.740 HB3 :: 001.740 HG2 :: 001.364 HG3 :: 001.413 HD2 :: 001.690 HD3 :: 001.690 HE2 :: 003.013 HE3 :: 003.013 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 :: 122.298 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.83 C 0.13 S 0.02 C Shift Assignments>> C :: 175.866 CA :: 063.108 CB :: 066.923 CG2 :: 020.895 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 :: 010.415(S) HA :: 004.043 HB :: 003.879 HG21 :: 000.632 HG22 :: 000.632 HG23 :: 000.632 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 :: 121.170 Ave N Shift Values>> N :: 115.42(4.75) 2.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.36 R 0.18 G 0.01 HN Overlap>> 2.A45 2.A45 C Shift Assignments>> C :: 177.620 CA :: 059.927 CB :: 031.676 CG :: 024.387 CD :: 028.590 CE :: 042.330 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 :: 008.940 HA :: 004.043 HB2 :: 001.857 HB3 :: 001.974 HG2 :: 001.505 HG3 :: 001.505 HD2 :: 001.670 HD3 :: 001.834 HE2 :: 003.093 HE3 :: 003.093 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 :: 133.175 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 I 0.03 C 0.02 C Shift Assignments>> C :: 180.949 CA :: 055.025 CB :: 018.301 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 008.741 HA :: 004.231 HB1 :: 001.388 HB2 :: 001.388 HB3 :: 001.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.539 Ave N Shift Values>> N :: 123.23(3.54) 2.F37 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 Y 0.02 H 0.01 C Shift Assignments>> C :: 177.634 CA :: 056.010 CB :: 036.338 CD1 :: 126.598(S) CE1 :: 128.740 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 :: 006.890 HA :: 004.866 HB2 :: 003.151 HB3 :: 003.479 HD1 :: 007.074 HD2 :: 007.074 HE1 :: 007.309 HE2 :: 007.309 HZ :: 007.546 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 :: 113.690 Ave N Shift Values>> N :: 120.45(4.18) 2.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 F 0.16 C 0.11 Y 0.1 L 0.1 K 0.08 G 0.06 I 0.03 D 0.01 C Shift Assignments>> C :: 178.111 CA :: 059.504 CB :: 043.197 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 :: 008.870 HA :: 004.584 HB2 :: 002.797 HB3 :: 002.797 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 :: 122.528 Ave N Shift Values>> N :: 120.65(3.86) 2.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 L 0.09 D 0.09 I 0.07 K 0.03 N 0.01 C Shift Assignments>> C :: 178.995 CA :: 057.642 CB :: 040.205 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 :: 009.087 HA :: 004.348 HB2 :: 002.727 HB3 :: 002.727 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 :: 116.866 Ave N Shift Values>> N :: 120.65(3.86) 2.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.28 C Shift Assignments>> C :: 177.811 CA :: 064.958 CB :: 038.671 CG1 :: 029.644 CG2 :: 013.917 CD1 :: 011.571 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 :: 007.307 HA :: 003.785 HB :: 002.210 HG12 :: 001.033 HG13 :: 002.139 HG21 :: 000.706 HG22 :: 000.706 HG23 :: 000.706 HD11 :: 000.894 HD12 :: 000.894 HD13 :: 000.894 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 :: 118.678 Ave N Shift Values>> N :: 121.46(4.28) 2.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 Y 0.01 HN Overlap>> 2.N90 2.N90 C Shift Assignments>> C :: 177.226 CA :: 062.367 CB :: 039.957 CD1 :: 129.515 CE1 :: 115.099 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 :: 008.553 HA :: 004.161 HB2 :: 003.196 HB3 :: 003.266 HD1 :: 007.000 HD2 :: 007.000 HE1 :: 006.696 HE2 :: 006.696 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 :: 119.127 Ave N Shift Values>> N :: 120.52(4.2) 2.Q42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 Q 0.37 C Shift Assignments>> C :: 178.118 CA :: 057.355 CB :: 027.495 CG :: 032.258 CD :: 179.669 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 :: 009.311 HA :: 003.644 HB2 :: 001.835 HB3 :: 002.186 HG2 :: 002.562 HG3 :: 003.055 HE21 :: 006.960 HE22 :: 008.976(S) 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 :: 112.788 NE2 :: 115.155 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.46 N 0.43 C 0.09 C Shift Assignments>> C :: 174.292 CA :: 053.495 CB :: 040.034 CG :: 177.902 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 :: 007.213 HA :: 004.842 HB2 :: 002.844 HB3 :: 002.938 HD21 :: 007.213 HD22 :: 008.123 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 :: 110.520 ND2 :: 116.407 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.825 CA :: 055.676 CB :: 062.681 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 007.201 HA :: 004.933 HB2 :: 003.808 HB3 :: 003.972 HG :: 005.879 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 :: 114.599 Ave N Shift Values>> N :: 116.28(3.52) 2.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 C 0.02 HN Overlap>> 2.K35 2.K35 C Shift Assignments>> C :: 180.554 CA :: 055.234 CB :: 017.920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 008.946 HA :: 003.925 HB1 :: 001.411 HB2 :: 001.411 HB3 :: 001.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.175 Ave N Shift Values>> N :: 123.23(3.54) 2.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.36 E 0.21 K 0.02 C Shift Assignments>> C :: 179.662 CA :: 060.443 CB :: 029.205 CG :: 037.040 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 :: 009.252 HA :: 004.067 HB2 :: 001.951 HB3 :: 001.951 HG2 :: 002.350 HG3 :: 002.538 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 :: 116.639 Ave N Shift Values>> N :: 120.67(3.48) 2.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.4 R 0.1 G 0.01 HN Overlap>> 1.D14 1.D14 C Shift Assignments>> C :: 178.883 CA :: 058.066 CB :: 042.353 CG :: 026.846 CD1 :: 024.807 CD2 :: 026.105 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 :: 008.089 HA :: 004.161 HB2 :: 001.616 HB3 :: 001.905 HG :: 001.836 HD11 :: 000.682 HD12 :: 000.682 HD13 :: 000.682 HD21 :: 000.682 HD22 :: 000.682 HD23 :: 000.682 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 :: 119.582 Ave N Shift Values>> N :: 121.86(3.9) 2.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Q 0.38 E 0.04 C Shift Assignments>> C :: 179.067 CA :: 059.860 CB :: 028.041 CG :: 033.786 CD :: 179.770 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 :: 007.648 HA :: 003.925 HB2 :: 002.140 HB3 :: 002.140 HG2 :: 002.444 HG3 :: 002.444 HE21 :: 006.249 HE22 :: 007.166 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 :: 115.265 NE2 :: 111.653 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 K 0.13 Q 0.11 I 0.09 M 0.01 HN Overlap>> 1.D35 1.D35 C Shift Assignments>> C :: 179.194 CA :: 059.135 CB :: 029.215 CG :: 035.440 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 :: 008.231 HA :: 004.020 HB2 :: 002.162 HB3 :: 002.162 HG2 :: 002.445 HG3 :: 002.351 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 :: 118.672 Ave N Shift Values>> N :: 120.67(3.48) 2.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.26 L 0.25 G 0.05 C Shift Assignments>> C :: 178.698 CA :: 058.195 CB :: 043.162 CG :: 027.686 CD1 :: 023.355 CD2 :: 026.280 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 :: 007.742 HA :: 004.119 HB2 :: 001.529 HB3 :: 002.251 HG :: 002.016 HD11 :: 001.082 HD12 :: 001.082 HD13 :: 001.082 HD21 :: 001.058 HD22 :: 001.058 HD23 :: 001.058 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 :: 119.356 Ave N Shift Values>> N :: 121.86(3.9) 2.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 R 0.18 C Shift Assignments>> C :: 176.743 CA :: 055.702 CB :: 041.841 CG :: 027.900 CD1 :: 023.791 CD2 :: 026.463 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 :: 007.648 HA :: 004.090 HB2 :: 001.881 HB3 :: 002.022 HG :: 002.004 HD11 :: 000.800 HD12 :: 000.800 HD13 :: 000.800 HD21 :: 001.129 HD22 :: 001.129 HD23 :: 001.129 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 :: 114.612 Ave N Shift Values>> N :: 121.86(3.9) 2.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 C Shift Assignments>> C :: 178.401 CA :: 057.478 CB :: 032.770 CG :: 025.422 CD :: 029.622 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 :: 007.436 HA :: 004.208 HB2 :: 001.880 HB3 :: 001.880 HG2 :: 001.410 HG3 :: 001.410 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 :: 116.185 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 Y 0.05 C Shift Assignments>> C :: 177.391 CA :: 057.092 CB :: 037.484 CD1 :: 130.016 CE1 :: 115.686 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 :: 007.759 HA :: 004.696 HB2 :: 003.268 HB3 :: 003.385 HD1 :: 007.448 HD2 :: 007.448 HE1 :: 006.930 HE2 :: 006.930 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 :: 119.129 Ave N Shift Values>> N :: 120.52(4.2) 2.N54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 N 0.32 D 0.05 C Shift Assignments>> C :: 177.424 CA :: 056.755 CB :: 037.957 CG :: 175.757 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 :: 009.551 HA :: 004.420 HB2 :: 002.515 HB3 :: 003.056 HD21 :: 007.066 HD22 :: 008.846(S) 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 :: 126.152 ND2 :: 115.723 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 066.281 CB :: 068.375 CG2 :: 022.405 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 :: 008.676 HA :: 003.785 HB :: 004.137 HG21 :: 001.293 HG22 :: 001.293 HG23 :: 001.293 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 :: 112.104 Ave N Shift Values>> N :: 115.42(4.75) 2.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 177.516 CA :: 066.010 CB :: 031.739 CG1 :: 020.930 CG2 :: 024.280 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 :: 006.608 HA :: 003.691 HB :: 002.562 HG11 :: 000.541 HG12 :: 000.541 HG13 :: 000.541 HG21 :: 001.035 HG22 :: 001.035 HG23 :: 001.035 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 :: 120.489 Ave N Shift Values>> N :: 121.14(4.54) 2.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.44 C 0.26 P 0.15 K 0.04 Q 0.01 R 0.01 M 0.01 H 0.01 I 0.01 HN Overlap>> 1.L19 1.L19 C Shift Assignments>> C :: 176.764 CA :: 061.788 CB :: 033.091 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 :: 007.812 HA :: 003.667 HB2 :: 001.787 HB3 :: 001.787 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 :: 117.092 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 F 0.12 Y 0.09 HN Overlap>> 2.S76 2.S76 C Shift Assignments>> C :: 177.756 CA :: 061.390 CB :: 039.242 CD1 :: 129.031 CE1 :: 128.578 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 :: 008.430 HA :: 003.362 HB2 :: 002.351 HB3 :: 002.632 HD1 :: 006.159 HD2 :: 006.159 HE1 :: 007.141 HE2 :: 007.141 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 :: 117.092 Ave N Shift Values>> N :: 120.45(4.18) 2.H59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 H 0.3 C Shift Assignments>> C :: 178.794 CA :: 060.304 CB :: 031.739 CD2 :: 117.332 CE1 :: 136.556 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 :: 007.414 HA :: 004.467 HB2 :: 003.074 HB3 :: 003.074 HD2 :: 007.053 HE1 :: 007.947 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 :: 116.863 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.32 R 0.04 A 0.04 HN Overlap>> 1.Q32 1.Q32 C Shift Assignments>> C :: 178.891 CA :: 057.738 CB :: 041.743 CG :: 026.061 CD1 :: 026.159 CD2 :: 020.825 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 :: 008.506 HA :: 004.044 HB2 :: 001.153 HB3 :: 001.826 HG :: 001.740 HD11 :: -000.04 HD12 :: -000.04 HD13 :: -000.04 HD21 :: 000.494 HD22 :: 000.494 HD23 :: 000.494 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 :: 117.318 Ave N Shift Values>> N :: 121.86(3.9) 2.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 179.997 CA :: 055.347 CB :: 018.018 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 009.317 HA :: 004.067 HB1 :: 001.764 HB2 :: 001.764 HB3 :: 001.764 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.077 Ave N Shift Values>> N :: 123.23(3.54) 2.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.37 R 0.15 C Shift Assignments>> C :: 178.896 CA :: 059.711 CB :: 031.021 CG :: 024.448 CD :: 028.804 CE :: 042.086 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 :: 007.295 HA :: 003.832 HB2 :: 001.669 HB3 :: 001.669 HG2 :: 000.753 HG3 :: 001.058 HD2 :: 001.299 HD3 :: 001.358 HE2 :: 002.389 HE3 :: 002.551 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 :: 119.130 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.125 CA :: 067.491 CB :: 031.422 CG1 :: 022.232 CG2 :: 023.840 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 :: 007.524 HA :: 003.456 HB :: 002.633 HG11 :: 001.035 HG12 :: 001.035 HG13 :: 001.035 HG21 :: 001.364 HG22 :: 001.364 HG23 :: 001.364 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 :: 118.897 Ave N Shift Values>> N :: 121.14(4.54) 2.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 Y 0.08 HN Overlap>> 1.H3 1.H3 C Shift Assignments>> C :: 177.830 CA :: 061.010 CB :: 038.701 CD1 :: 129.769 CE1 :: 116.157 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 :: 008.782 HA :: 004.061 HB2 :: 002.915 HB3 :: 003.220 HD1 :: 007.046 HD2 :: 007.046 HE1 :: 007.022 HE2 :: 007.022 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 :: 119.350 Ave N Shift Values>> N :: 120.52(4.2) 2.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 G 0.06 K 0.03 C Shift Assignments>> C :: 179.475 CA :: 059.546 CB :: 029.576 CG :: 027.509 CD :: 043.242 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 :: 008.740 HA :: 003.690 HB2 :: 001.819 HB3 :: 001.922 HG2 :: 001.594 HG3 :: 001.900 HD2 :: 003.103 HD3 :: 003.196 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 :: 121.163 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.L37 2.A105 1.L37 2.A105 C Shift Assignments>> C :: 178.972 CA :: 065.842 CB :: 038.566 CG1 :: 028.936 CG2 :: 018.700 CD1 :: 011.443 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 :: 007.971 HA :: 003.620 HB :: 001.928 HG12 :: 000.865 HG13 :: 001.834 HG21 :: 000.941 HG22 :: 000.941 HG23 :: 000.941 HD11 :: 000.635 HD12 :: 000.635 HD13 :: 000.635 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 :: 121.395 Ave N Shift Values>> N :: 121.46(4.28) 2.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.38 R 0.15 G 0.02 C Shift Assignments>> C :: 177.726 CA :: 057.088 CB :: 042.433 CG :: 026.213 CD1 :: 023.575 CD2 :: 026.900 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 :: 008.059 HA :: 003.926 HB2 :: 001.528 HB3 :: 001.904 HG :: 000.940 HD11 :: 000.886 HD12 :: 000.886 HD13 :: 000.886 HD21 :: 000.940 HD22 :: 000.940 HD23 :: 000.940 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 :: 117.090 Ave N Shift Values>> N :: 121.86(3.9) 2.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.209 CA :: 058.587 CB :: 064.026 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 007.656 HA :: 004.396 HB2 :: 003.503 HB3 :: 003.691 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 :: 110.747 Ave N Shift Values>> N :: 116.28(3.52) 2.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.367 CA :: 058.972 CB :: 063.980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 007.436 HA :: 004.442 HB2 :: 003.949 HB3 :: 003.949 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 :: 117.316 Ave N Shift Values>> N :: 116.28(3.52) 2.T70 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 :: 174.498 CA :: 061.758 CB :: 069.863 CG2 :: 021.558 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 :: 008.335 HA :: 004.418 HB :: 004.255 HG21 :: 001.200 HG22 :: 001.200 HG23 :: 001.200 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 :: 116.181 Ave N Shift Values>> N :: 115.42(4.75) 2.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.681 CA :: 062.138 CB :: 032.955 CG1 :: 020.527 CG2 :: 021.200 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 :: 008.194 HA :: 004.160 HB :: 002.069 HG11 :: 000.917 HG12 :: 000.917 HG13 :: 000.917 HG21 :: 000.917 HG22 :: 000.917 HG23 :: 000.917 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 :: 122.083 Ave N Shift Values>> N :: 121.14(4.54) 2.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.22 C 0.1 C Shift Assignments>> C :: 174.868 CA :: 053.039 CB :: 039.070 CG :: 177.019 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 :: 008.605 HA :: 004.842 HB2 :: 002.744 HB3 :: 002.867 HD21 :: 006.954 HD22 :: 007.660 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 :: 122.519 ND2 :: 113.009 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.11 K 0.1 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 177.041 CA :: 054.095 CB :: 041.202 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 :: 008.306 HA :: 004.631 HB2 :: 002.680 HB3 :: 002.845 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 :: 121.175 Ave N Shift Values>> N :: 120.65(3.86) 2.G74 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 :: 174.990 CA :: 045.654 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.558 HA2 :: 003.950 HA3 :: 004.113 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.615 Ave N Shift Values>> N :: 109.67(3.87) 2.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.990 CA :: 059.038 CB :: 063.947 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 008.400 HA :: 004.513 HB2 :: 003.949 HB3 :: 003.949 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 :: 116.413 Ave N Shift Values>> N :: 116.28(3.52) 2.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.F58 2.F58 C Shift Assignments>> C :: 175.175 CA :: 058.769 CB :: 063.914 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 008.512 HA :: 004.538 HB2 :: 003.973 HB3 :: 003.973 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 :: 117.086 Ave N Shift Values>> N :: 116.28(3.52) 2.G77 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 :: 174.212 CA :: 045.524 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.441 HA2 :: 004.019 HA3 :: 004.019 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.745 Ave N Shift Values>> N :: 109.67(3.87) 2.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.41 R 0.05 Q 0.04 V 0.01 C Shift Assignments>> C :: 176.827 CA :: 056.549 CB :: 033.178 CG :: 024.726 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 :: 008.224 HA :: 004.347 HB2 :: 001.880 HB3 :: 001.880 HG2 :: 001.458 HG3 :: 001.458 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 :: 120.942 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.M79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 A 0.01 C Shift Assignments>> C :: 176.363 CA :: 056.005 CB :: 032.709 CG :: 032.197 CE :: 014.392 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>> H :: 008.488 HA :: 004.489 HB2 :: 002.094 HB3 :: 002.094 HG2 :: 002.585 HG3 :: 002.610 HE1 :: 002.109 HE2 :: 002.109 HE3 :: 002.109 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) N Shift Assignments>> N :: 120.713 Ave N Shift Values>> N :: 120.09(3.57) 2.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.21 C 0.14 C Shift Assignments>> C :: 175.878 CA :: 053.922 CB :: 039.065 CG :: 176.632 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 :: 008.517 HA :: 004.747 HB2 :: 002.909 HB3 :: 002.909 HD21 :: 007.765 HD22 :: 007.107 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 :: 120.259 ND2 :: 113.237 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.115 CA :: 060.555 CB :: 063.207 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 008.629 HA :: 004.419 HB2 :: 003.995 HB3 :: 004.040 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 :: 117.089 Ave N Shift Values>> N :: 116.28(3.52) 2.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.12 L 0.12 C 0.11 I 0.05 K 0.03 N 0.03 HN Overlap>> 2.K30 2.K30 C Shift Assignments>> C :: 178.507 CA :: 057.131 CB :: 040.256 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 :: 008.400 HA :: 004.536 HB2 :: 002.774 HB3 :: 002.774 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 :: 122.080 Ave N Shift Values>> N :: 120.65(3.86) 2.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.4 R 0.01 C Shift Assignments>> C :: 178.894 CA :: 057.866 CB :: 041.771 CG :: 027.042 CD1 :: 024.659 CD2 :: 024.027 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 :: 007.994 HA :: 004.231 HB2 :: 001.740 HB3 :: 001.740 HG :: 001.648 HD11 :: 000.941 HD12 :: 000.941 HD13 :: 000.941 HD21 :: 000.965 HD22 :: 000.965 HD23 :: 000.965 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 :: 122.302 Ave N Shift Values>> N :: 121.86(3.9) 2.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Q 0.32 E 0.17 HN Overlap>> 1.F38 1.F38 C Shift Assignments>> C :: 178.202 CA :: 059.112 CB :: 028.764 CG :: 035.105 CD :: 179.390 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 :: 008.194 HA :: 003.925 HB2 :: 002.256 HB3 :: 002.256 HG2 :: 002.534 HG3 :: 002.534 HE21 :: 006.825 HE22 :: 007.666 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 :: 117.092 NE2 :: 110.746 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.25 R 0.19 C Shift Assignments>> C :: 178.095 CA :: 060.589 CB :: 032.279 CG :: 026.396 CD :: 029.865 CE :: 042.038 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 :: 007.842 HA :: 003.880 HB2 :: 001.740 HB3 :: 001.925 HG2 :: 001.247 HG3 :: 001.247 HD2 :: 001.708 HD3 :: 001.708 HE2 :: 002.939 HE3 :: 002.939 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 :: 117.314 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.13 K 0.08 Q 0.05 M 0.02 C Shift Assignments>> C :: 178.899 CA :: 059.494 CB :: 029.576 CG :: 035.927 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 :: 007.830 HA :: 004.042 HB2 :: 002.233 HB3 :: 002.233 HG2 :: 002.421 HG3 :: 002.421 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 :: 119.588 Ave N Shift Values>> N :: 120.67(3.48) 2.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.46 R 0.03 HN Overlap>> 2.E108 2.E108 2.F109 2.F109 C Shift Assignments>> C :: 180.636 CA :: 057.912 CB :: 041.931 CG :: 026.641 CD1 :: 022.770 CD2 :: 025.338 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 :: 008.341 HA :: 004.114 HB2 :: 001.481 HB3 :: 001.928 HG :: 001.904 HD11 :: 000.941 HD12 :: 000.941 HD13 :: 000.941 HD21 :: 000.917 HD22 :: 000.917 HD23 :: 000.917 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 :: 118.902 Ave N Shift Values>> N :: 121.86(3.9) 2.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.34 C 0.08 V 0.04 I 0.03 L 0.03 T 0.01 C Shift Assignments>> C :: 179.126 CA :: 055.807 CB :: 019.532 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 008.447 HA :: 004.160 HB1 :: 001.646 HB2 :: 001.646 HB3 :: 001.646 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.658 Ave N Shift Values>> N :: 123.23(3.54) 2.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 177.384 CA :: 066.493 CB :: 031.671 CG1 :: 021.512 CG2 :: 024.260 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 :: 008.588 HA :: 003.690 HB :: 002.257 HG11 :: 001.059 HG12 :: 001.059 HG13 :: 001.059 HG21 :: 001.106 HG22 :: 001.106 HG23 :: 001.106 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 :: 118.903 Ave N Shift Values>> N :: 121.14(4.54) 2.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 N 0.44 D 0.05 HN Overlap>> 2.Y41 2.Y41 C Shift Assignments>> C :: 178.332 CA :: 056.001 CB :: 037.687 CG :: 175.930 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 :: 008.441 HA :: 004.490 HB2 :: 002.892 HB3 :: 003.034 HD21 :: 007.125 HD22 :: 007.630 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 :: 119.130 ND2 :: 110.967 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 Y 0.06 C Shift Assignments>> C :: 178.899 CA :: 061.883 CB :: 038.228 CD1 :: 129.634 CE1 :: 116.507 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 :: 007.924 HA :: 004.350 HB2 :: 002.985 HB3 :: 003.221 HD1 :: 007.052 HD2 :: 007.052 HE1 :: 006.980 HE2 :: 006.980 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 :: 119.807 Ave N Shift Values>> N :: 120.52(4.2) 2.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.44 R 0.04 G 0.01 C Shift Assignments>> C :: 178.690 CA :: 058.344 CB :: 042.081 CG :: 026.960 CD1 :: 023.408 CD2 :: 025.235 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 :: 008.621 HA :: 003.761 HB2 :: 001.645 HB3 :: 001.881 HG :: 001.645 HD11 :: 000.823 HD12 :: 000.823 HD13 :: 000.823 HD21 :: 000.893 HD22 :: 000.893 HD23 :: 000.893 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 :: 122.305 Ave N Shift Values>> N :: 121.86(3.9) 2.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 N 0.42 D 0.02 C Shift Assignments>> C :: 178.904 CA :: 055.511 CB :: 037.417 CG :: 175.168 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 :: 008.846 HA :: 004.466 HB2 :: 002.750 HB3 :: 002.986 HD21 :: 006.690 HD22 :: 007.595 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 :: 115.279 ND2 :: 109.840 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.113 CA :: 065.034 CB :: 070.111 CG2 :: 021.502 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 :: 007.683 HA :: 004.279 HB :: 004.038 HG21 :: 001.504 HG22 :: 001.504 HG23 :: 001.504 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 :: 111.207 Ave N Shift Values>> N :: 115.42(4.75) 2.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 C 0.25 A 0.23 R 0.07 L 0.04 C Shift Assignments>> C :: 177.463 CA :: 054.454 CB :: 044.582 CG :: 026.026 CD1 :: 021.457 CD2 :: 027.523 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 :: 007.242 HA :: 004.367 HB2 :: 001.223 HB3 :: 001.857 HG :: 001.363 HD11 :: 000.307 HD12 :: 000.307 HD13 :: 000.307 HD21 :: 000.539 HD22 :: 000.539 HD23 :: 000.539 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 :: 119.584 Ave N Shift Values>> N :: 121.86(3.9) 2.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 C 0.26 Q 0.23 R 0.11 M 0.08 C Shift Assignments>> C :: 175.785 CA :: 056.698 CB :: 032.685 CG :: 028.804 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 :: 006.849 HA :: 004.532 HB2 :: 001.386 HB3 :: 001.808 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 :: 116.183 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 Y 0.03 C Shift Assignments>> C :: 177.151 CA :: 061.203 CB :: 037.932 CD1 :: 130.025 CE1 :: 115.342 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 :: 008.833 HA :: 003.432 HB2 :: 002.726 HB3 :: 002.726 HD1 :: 006.699 HD2 :: 006.699 HE1 :: 006.697 HE2 :: 006.697 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 :: 120.033 Ave N Shift Values>> N :: 120.52(4.2) 2.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 HN Overlap>> 2.I106 2.I106 C Shift Assignments>> C :: 174.564 CA :: 044.522 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 007.836 HA2 :: 003.128 HA3 :: 003.996 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.765 Ave N Shift Values>> N :: 109.67(3.87) 2.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 176.567 CA :: 044.383 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.905 HA2 :: 003.878 HA3 :: 004.183 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.064 Ave N Shift Values>> N :: 109.67(3.87) 2.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 175.968 CA :: 063.657 CB :: 038.206 CG1 :: 026.450 CG2 :: 014.416 CD1 :: 011.375 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 :: 008.588 HA :: 004.043 HB :: 001.736 HG12 :: 000.845 HG13 :: 001.010 HG21 :: 000.753 HG22 :: 000.753 HG23 :: 000.753 HD11 :: 000.776 HD12 :: 000.776 HD13 :: 000.776 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 :: 118.456 Ave N Shift Values>> N :: 121.46(4.28) 2.H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 H 0.38 C Shift Assignments>> C :: 173.920 CA :: 052.752 CB :: 029.373 CD2 :: 117.343 CE1 :: 133.854 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 :: 008.699 HA :: 005.264 HB2 :: 002.563 HB3 :: 003.362 HD2 :: 007.286 HE1 :: 008.597 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 :: 120.488 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 Y 0.02 C Shift Assignments>> C :: 174.037 CA :: 057.564 CB :: 038.769 CD1 :: 130.798 CE1 :: 114.291 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 :: 006.713 HA :: 003.995 HB2 :: 002.563 HB3 :: 003.292 HD1 :: 006.998 HD2 :: 006.998 HE1 :: 006.812 HE2 :: 006.812 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 :: 117.995 Ave N Shift Values>> N :: 120.52(4.2) 2.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.29 C 0.09 C Shift Assignments>> C :: 173.335 CA :: 052.084 CB :: 041.134 CG :: 176.051 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 :: 009.269 HA :: 004.442 HB2 :: 002.563 HB3 :: 002.563 HD21 :: 006.872 HD22 :: 007.613 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 :: 131.595 ND2 :: 111.200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.32 I 0.14 K 0.07 Q 0.05 M 0.02 C Shift Assignments>> C :: 177.520 CA :: 059.836 CB :: 029.643 CG :: 035.903 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 :: 008.670 HA :: 003.786 HB2 :: 001.975 HB3 :: 001.975 HG2 :: 002.328 HG3 :: 002.328 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 :: 126.155 Ave N Shift Values>> N :: 120.67(3.48) 2.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.45 C 0.03 I 0.02 HN Overlap>> 2.I66 2.I66 C Shift Assignments>> C :: 179.494 CA :: 055.006 CB :: 018.490 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 007.865 HA :: 004.324 HB1 :: 001.388 HB2 :: 001.388 HB3 :: 001.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.392 Ave N Shift Values>> N :: 123.23(3.54) 2.I106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 2.G98 2.G98 C Shift Assignments>> C :: 178.610 CA :: 061.502 CB :: 034.645 CG1 :: 026.576 CG2 :: 014.869 CD1 :: 007.529(S) 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 :: 007.907 HA :: 003.948 HB :: 002.303 HG12 :: 001.339 HG13 :: 001.552 HG21 :: 000.823 HG22 :: 000.823 HG23 :: 000.823 HD11 :: 000.823 HD12 :: 000.823 HD13 :: 000.823 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 :: 117.772 Ave N Shift Values>> N :: 121.46(4.28) 2.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.21 K 0.14 Q 0.14 I 0.08 M 0.02 C Shift Assignments>> C :: 177.533 CA :: 059.979 CB :: 029.550 CG :: 034.938 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 :: 008.423 HA :: 004.302 HB2 :: 002.234 HB3 :: 002.234 HG2 :: 002.795 HG3 :: 002.795 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 :: 121.860 Ave N Shift Values>> N :: 120.67(3.48) 2.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.28 I 0.16 K 0.09 Q 0.06 M 0.01 HN Overlap>> 2.L87 2.F109 2.L87 2.F109 C Shift Assignments>> C :: 177.640 CA :: 059.927 CB :: 029.238 CG :: 035.694 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 :: 008.335 HA :: 004.066 HB2 :: 002.258 HB3 :: 002.258 HG2 :: 002.492 HG3 :: 002.492 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 :: 118.895 Ave N Shift Values>> N :: 120.67(3.48) 2.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 Y 0.13 F 0.09 HN Overlap>> 2.E108 2.L87 2.E108 2.L87 C Shift Assignments>> C :: 175.874 CA :: 062.168 CB :: 039.414 CD1 :: 129.279 CE1 :: 128.085 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 :: 008.441 HA :: 003.807 HB2 :: 003.196 HB3 :: 003.196 HD1 :: 007.239 HD2 :: 007.239 HE1 :: 007.122 HE2 :: 007.122 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 :: 118.902 Ave N Shift Values>> N :: 120.45(4.18) 2.C110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 I 0.37 C 0.09 C Shift Assignments>> C :: 176.082 CA :: 064.417 CB :: 026.331 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 008.388 HA :: 003.832 HB2 :: 002.493 HB3 :: 003.264 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 :: 114.597 Ave N Shift Values>> N :: 120.17(4.64) 2.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Q 0.39 E 0.06 C Shift Assignments>> C :: 179.165 CA :: 059.403 CB :: 028.291 CG :: 033.631 CD :: 180.346 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 :: 008.694 HA :: 003.832 HB2 :: 002.186 HB3 :: 002.186 HG2 :: 002.398 HG3 :: 002.633 HE21 :: 006.755 HE22 :: 008.282 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 :: 118.676 NE2 :: 113.692 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 HN Overlap>> 1.R17 1.R17 C Shift Assignments>> C :: 178.507 CA :: 064.785 CB :: 038.363 CG1 :: 028.651 CG2 :: 014.515 CD1 :: 011.838 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 :: 008.494 HA :: 003.737 HB :: 001.599 HG12 :: 001.834 HG13 :: 001.011 HG21 :: 000.707 HG22 :: 000.707 HG23 :: 000.707 HD11 :: 000.752 HD12 :: 000.752 HD13 :: 000.752 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 :: 119.360 Ave N Shift Values>> N :: 121.46(4.28) 2.L113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 L 0.4 A 0.01 C Shift Assignments>> C :: 178.522 CA :: 057.721 CB :: 041.230 CG :: 026.152 CD1 :: 022.097 CD2 :: 025.453 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 :: 007.689 HA :: 003.572 HB2 :: 000.940 HB3 :: 001.293 HG :: 000.940 HD11 :: -000.21(S) HD12 :: -000.21(S) HD13 :: -000.21(S) HD21 :: 000.143 HD22 :: 000.143 HD23 :: 000.143 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 :: 118.678 Ave N Shift Values>> N :: 121.86(3.9) 2.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.46 R 0.02 HN Overlap>> 1.N7 1.N7 C Shift Assignments>> C :: 179.326 CA :: 058.409 CB :: 041.230 CG :: 027.107 CD1 :: 023.405 CD2 :: 025.570 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 :: 008.582 HA :: 003.831 HB2 :: 001.387 HB3 :: 001.857 HG :: 001.809 HD11 :: 000.894 HD12 :: 000.894 HD13 :: 000.894 HD21 :: 000.869 HD22 :: 000.869 HD23 :: 000.869 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 :: 117.994 Ave N Shift Values>> N :: 121.86(3.9) 2.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 K 0.15 L 0.15 D 0.11 C 0.09 I 0.03 R 0.01 N 0.01 C Shift Assignments>> C :: 179.281 CA :: 057.337 CB :: 041.050 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 :: 007.853 HA :: 004.419 HB2 :: 002.722 HB3 :: 002.863 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 :: 118.672 Ave N Shift Values>> N :: 120.65(3.86) 2.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.33 R 0.28 G 0.01 C Shift Assignments>> C :: 179.983 CA :: 057.608 CB :: 032.279 CG :: 024.472 CD :: 027.881 CE :: 042.392 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 :: 007.994 HA :: 004.137 HB2 :: 001.763 HB3 :: 001.975 HG2 :: 001.786 HG3 :: 001.786 HD2 :: 001.574 HD3 :: 001.708 HE2 :: 002.948 HE3 :: 002.948 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 :: 117.541 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.04 C Shift Assignments>> C :: 178.887 CA :: 057.182 CB :: 042.013 CG :: 026.507 CD1 :: 025.785 CD2 :: 022.984 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 :: 008.811 HA :: 004.113 HB2 :: 001.457 HB3 :: 001.810 HG :: 001.599 HD11 :: 000.588 HD12 :: 000.588 HD13 :: 000.588 HD21 :: 000.870 HD22 :: 000.870 HD23 :: 000.870 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 :: 119.810 Ave N Shift Values>> N :: 121.86(3.9) 2.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.22 C 0.17 C Shift Assignments>> C :: 175.578 CA :: 054.273 CB :: 038.836 CG :: 176.922 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 :: 007.989 HA :: 004.677 HB2 :: 002.868 HB3 :: 002.868 HD21 :: 007.195 HD22 :: 007.707 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 :: 116.406 ND2 :: 113.692 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 C Shift Assignments>> C :: 177.919 CA :: 053.030 CB :: 019.144 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 007.530 HA :: 004.348 HB1 :: 001.505 HB2 :: 001.505 HB3 :: 001.505 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.848 Ave N Shift Values>> N :: 123.23(3.54) 2.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.066 CA :: 062.682 CB :: 032.347 CG1 :: 021.088 CG2 :: 020.936 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 :: 007.712 HA :: 004.090 HB :: 002.205 HG11 :: 001.010 HG12 :: 001.010 HG13 :: 001.010 HG21 :: 001.082 HG22 :: 001.082 HG23 :: 001.082 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 :: 117.769 Ave N Shift Values>> N :: 121.14(4.54) 2.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.13 C Shift Assignments>> C :: 175.575 CA :: 056.322 CB :: 032.888 CG :: 024.566 CD :: 028.993 CE :: 042.188 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 :: 008.229 HA :: 004.371 HB2 :: 001.811 HB3 :: 001.811 HG2 :: 001.480 HG3 :: 001.505 HD2 :: 001.740 HD3 :: 001.740 HE2 :: 003.033 HE3 :: 003.033 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 :: 125.927 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.44 R 0.08 C Shift Assignments>> C :: 181.433 CA :: 057.641 CB :: 033.699 CG :: 024.808 CD :: 029.121 CE :: 042.192 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 :: 008.083 HA :: 004.184 HB2 :: 001.858 HB3 :: 001.858 HG2 :: 001.435 HG3 :: 001.435 HD2 :: 001.739 HD3 :: 001.739 HE2 :: 003.018 HE3 :: 003.018 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 :: 128.872 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 176 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 132 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 52 Shift Relative Order (SRO) Results: #Consistent: 185 #Suspicious: 0 C Shift Results: #Consistent: 594 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 960 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 2 N Shift Results: #Consistent: 149 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E18 HG2 = 003.028(S), Expected = 2.27, Std = 0.2100, ChiSquare = 3.0676e-04 1.G20 HA2 = 001.739(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.6423e-09 1.Q32 HG2 = 003.899(A), Expected = 2.32, Std = 0.2700, ChiSquare = 4.9708e-09 1.Q32 HG3 = 003.899(A), Expected = 2.29, Std = 0.2900, ChiSquare = 2.8850e-08 2.T34 H = 010.415(S), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5138e-04 2.F37 Typing: Suspicious 2.F37 CD1 = 126.598(S), Expected = 131.58, Std = 1.1800, ChiSquare = 2.4211e-05 2.Q42 HE22 = 008.976(S), Expected = 7.02, Std = 0.4400, ChiSquare = 8.7706e-06 2.N54 HD22 = 008.846(S), Expected = 7.14, Std = 0.4900, ChiSquare = 4.9837e-04 2.I106 CD1 = 007.529(S), Expected = 13.43, Std = 1.6700, ChiSquare = 4.1004e-04 2.L113 HD11 = -000.21(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0677e-04 2.L113 HD12 = -000.21(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0677e-04 2.L113 HD13 = -000.21(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0677e-04