Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F9 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.323 CA :: 57.887 CB :: 39.237 CD2 :: 132.997 CZ :: 136.760(S) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.998 HA :: 4.460 HB2 :: 2.983 HB3 :: 2.861 HD1 :: 6.825 HD2 :: 6.825 HZ :: 8.113 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 :: 120.577 Ave N Shift Values>> N :: 120.45(4.18) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 HN Overlap>> 1.Y48 1.K51 1.Y48 1.K51 C Shift Assignments>> C :: 175.383 CA :: 53.194 CB :: 38.813 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.357 HA :: 4.588 HB2 :: 2.761 HB3 :: 2.639 HD21 :: 6.829 HD22 :: 7.561 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 :: 120.067 ND2 :: 113.227 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.825 CA :: 61.806 CB :: 69.645 CG2 :: 21.472 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.040 HA :: 4.260 HB :: 4.223 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.812 Ave N Shift Values>> N :: 115.42(4.75) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.218 CA :: 58.681 CB :: 63.586 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.277 HA :: 4.367 HB2 :: 3.822 HB3 :: 3.757 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.231 Ave N Shift Values>> N :: 116.28(3.52) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 N 0.1 F 0.1 K 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 175.250 CA :: 54.385 CB :: 41.069 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.197 HA :: 4.531 HB2 :: 2.588 HB3 :: 2.531 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 :: 121.799 Ave N Shift Values>> N :: 120.65(3.86) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.28 F 0.22 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> C :: 174.607 CA :: 58.688 CB :: 39.025 CD2 :: 133.436 CE2 :: 117.521 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.023 HA :: 4.446 HB2 :: 2.870 HB3 :: 2.832 HD1 :: 6.845 HD2 :: 6.845 HE1 :: 6.046 HE2 :: 6.046 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.165 Ave N Shift Values>> N :: 120.52(4.2) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.1 G 0.07 C Shift Assignments>> C :: 172.871 CA :: 55.440 CB :: 32.262 CG :: 27.520 CD :: 43.439 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.637 HA :: 4.377 HB2 :: 1.684 HB3 :: 1.661 HG2 :: 1.512 HG3 :: 1.497 HD2 :: 3.134 HD3 :: 3.112 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.309 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.F16 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Y 0.33 G 0.01 C Shift Assignments>> C :: 174.558 CA :: 56.471 CB :: 41.719 CD1 :: 132.074 CE1 :: 130.276 CZ :: 138.043(S) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.551 HA :: 4.925 HB2 :: 2.893 HB3 :: 2.690 HD1 :: 6.895 HD2 :: 6.895 HE1 :: 6.732 HE2 :: 6.732 HZ :: 7.774 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 :: 125.304 Ave N Shift Values>> N :: 120.45(4.18) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 M 0.23 Q 0.03 C Shift Assignments>> C :: 172.361 CA :: 56.471 CB :: 31.644 CG :: 36.258 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.833 HA :: 3.954 HB2 :: 1.821 HB3 :: 1.813 HG2 :: 1.982 HG3 :: 1.901 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.804 Ave N Shift Values>> N :: 120.67(3.48) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.16 E 0.13 R 0.12 H 0.1 K 0.07 Q 0.06 V 0.05 M 0.05 I 0.02 C Shift Assignments>> C :: 176.221 CA :: 59.045 CB :: 30.839 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.356 HA :: 4.358 HB2 :: 3.821 HB3 :: 3.759 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 :: 127.001 Ave N Shift Values>> N :: 120.17(4.64) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 176.439 CA :: 63.306 CB :: 38.462 CG1 :: 27.410 CG2 :: 18.375 CD1 :: 14.175 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 :: 8.075 HA :: 4.128 HB :: 2.001 HG12 :: 1.188 HG13 :: 1.395 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 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 :: 127.765 Ave N Shift Values>> N :: 121.46(4.28) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.15 R 0.12 E 0.12 H 0.1 K 0.08 Q 0.06 M 0.06 V 0.05 I 0.01 C Shift Assignments>> C :: 177.046 CA :: 58.892 CB :: 30.994 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.661 HA :: 4.538 HB2 :: 3.376 HB3 :: 3.228 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 :: 120.000 Ave N Shift Values>> N :: 120.17(4.64) 1.G21 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 :: 173.818 CA :: 45.859 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.855 HA2 :: 3.842 HA3 :: 4.058 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.372 Ave N Shift Values>> N :: 109.67(3.87) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 M 0.18 Q 0.02 I 0.01 K 0.01 C Shift Assignments>> C :: 175.990 CA :: 56.286 CB :: 31.276 CG :: 36.665 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.276 HA :: 4.353 HB2 :: 2.207 HB3 :: 2.112 HG2 :: 2.356 HG3 :: 2.212 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 :: 122.002 Ave N Shift Values>> N :: 120.67(3.48) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.24 R 0.04 A 0.02 G 0.02 C Shift Assignments>> C :: 176.816 CA :: 54.595 CB :: 42.549 CG :: 27.181 CD1 :: 24.851 CD2 :: 23.388 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.341 HA :: 4.349 HB2 :: 1.534 HB3 :: 1.520 HG :: 1.611 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 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 :: 122.355 Ave N Shift Values>> N :: 121.86(3.9) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.12 F 0.09 K 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 175.432 CA :: 54.172 CB :: 41.069 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.325 HA :: 4.046 HB2 :: 2.552 HB3 :: 2.343 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 :: 121.075 Ave N Shift Values>> N :: 120.65(3.86) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.21 M 0.18 E 0.03 R 0.01 C Shift Assignments>> C :: 175.420 CA :: 55.225 CB :: 30.149 CG :: 33.345 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.083 HA :: 4.197 HB2 :: 1.939 HB3 :: 1.871 HG2 :: 2.173 HG3 :: 2.093 HE21 :: 7.506 HE22 :: 6.776 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 :: 121.978 NE2 :: 112.651 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.347 CA :: 61.499 CB :: 37.123 CG1 :: 27.317 CG2 :: 17.296 CD1 :: 12.638 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 :: 8.155 HA :: 3.878 HB :: 1.704 HG12 :: 1.293 HG13 :: 1.285 HG21 :: 0.702 HG22 :: 0.702 HG23 :: 0.702 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 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 :: 120.079 Ave N Shift Values>> N :: 121.46(4.28) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.21 N 0.14 K 0.08 F 0.07 Y 0.05 C 0.05 R 0.01 C Shift Assignments>> C :: 176.124 CA :: 53.609 CB :: 41.139 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.992 HA :: 4.426 HB2 :: 2.700 HB3 :: 2.511 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 :: 123.410 Ave N Shift Values>> N :: 120.65(3.86) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.35 K 0.08 G 0.04 L 0.03 HN Overlap>> 1.C37 1.C37 C Shift Assignments>> C :: 176.476 CA :: 56.038 CB :: 29.552 CG :: 27.113 CD :: 43.032 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.274 HA :: 4.169 HB2 :: 1.898 HB3 :: 1.648 HG2 :: 1.742 HG3 :: 1.431 HD2 :: 3.040 HD3 :: 2.931 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.285 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.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.37 R 0.05 HN Overlap>> 1.Y14 1.Y14 C Shift Assignments>> CA :: 54.947 CB :: 32.262 CG :: 25.284 CD :: 29.213 CE :: 41.302 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.060 HA :: 4.486 HB2 :: 1.702 HB3 :: 1.683 HG2 :: 1.264 HG3 :: 1.224 HD2 :: 1.633 HD3 :: 1.552 HE2 :: 2.585 HE3 :: 2.529 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 :: 122.196 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.204 CA :: 63.964 CB :: 32.538 CG :: 27.723 CD :: 50.972 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.398 HB2 :: 1.818 HB3 :: 2.407 HG2 :: 1.999 HG3 :: 2.120 HD2 :: 3.961 HD3 :: 3.706 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.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 G 0.32 R 0.07 K 0.02 C Shift Assignments>> C :: 174.473 CA :: 54.984 CB :: 35.552 CG :: 27.587 CD :: 43.981 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.982 HA :: 5.488 HB2 :: 2.207 HB3 :: 1.860 HG2 :: 1.979 HG3 :: 1.490 HD2 :: 2.796 HD3 :: 2.774 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.076 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.V32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.85 V 0.13 C Shift Assignments>> C :: 171.342 CA :: 59.526 CB :: 35.310 CG1 :: 19.286 CG2 :: 19.519 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.109 HA :: 4.450 HB :: 1.250 HG11 :: -0.264(S) HG12 :: -0.264(S) HG13 :: -0.264(S) HG21 :: -0.050 HG22 :: -0.050 HG23 :: -0.050 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 :: 116.941 Ave N Shift Values>> N :: 121.14(4.54) 1.Q33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.3 Q 0.23 C 0.23 M 0.13 R 0.08 C Shift Assignments>> C :: 174.910 CA :: 53.209 CB :: 29.100 CG :: 32.599 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.755 HA :: 4.053 HB2 :: 2.544 HB3 :: 0.833(S) HG2 :: 2.750 HG3 :: 1.311(S) HE21 :: 7.312 HE22 :: 7.157 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 :: 126.293 NE2 :: 112.417 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.16 E 0.12 R 0.11 H 0.1 V 0.06 Q 0.06 K 0.06 M 0.04 I 0.03 C Shift Assignments>> C :: 177.471 CA :: 59.449 CB :: 30.727 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.366 HA :: 4.073 HB2 :: 3.092 HB3 :: 2.559 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 :: 128.217 Ave N Shift Values>> N :: 120.17(4.64) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.22 R 0.19 G 0.01 C Shift Assignments>> C :: 176.718 CA :: 56.849 CB :: 42.054 CG :: 29.149 CD1 :: 23.604 CD2 :: 25.177 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.304 HA :: 3.838 HB2 :: 1.199 HB3 :: 1.270 HG :: 1.180 HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 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 :: 131.279 Ave N Shift Values>> N :: 121.86(3.9) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.12 C Shift Assignments>> C :: 176.160 CA :: 57.986 CB :: 33.037 CG :: 25.352 CD :: 28.536 CE :: 41.948 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.752 HA :: 4.335 HB2 :: 1.637 HB3 :: 1.630 HG2 :: 1.268 HG3 :: 1.212 HD2 :: 1.556 HD3 :: 1.549 HE2 :: 2.893 HE3 :: 2.770 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 :: 120.707 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.14 R 0.11 E 0.1 H 0.09 K 0.09 V 0.08 M 0.07 Q 0.05 I 0.01 HN Overlap>> 1.R28 1.R28 C Shift Assignments>> C :: 176.306 CA :: 59.174 CB :: 31.346 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.230 HA :: 4.466 HB2 :: 2.979 HB3 :: 2.408 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 :: 118.211 Ave N Shift Values>> N :: 120.17(4.64) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.21 C 0.15 Q 0.09 K 0.09 W 0.06 H 0.05 I 0.04 E 0.03 C Shift Assignments>> C :: 173.478 CA :: 56.990 CB :: 26.556 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 :: 7.149 HA :: 4.204 HB2 :: 3.088 HB3 :: 3.471 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 :: 113.392 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.28 G 0.16 R 0.05 C Shift Assignments>> C :: 176.670 CA :: 56.227 CB :: 44.035 CG :: 27.005 CD1 :: 25.224 CD2 :: 24.501 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.172 HA :: 4.295 HB2 :: 1.798 HB3 :: 1.359 HG :: 1.591 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.764 HD22 :: 0.764 HD23 :: 0.764 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 :: 124.066 Ave N Shift Values>> N :: 121.86(3.9) 1.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 W 0.42 C Shift Assignments>> C :: 174.133 CA :: 56.723 CB :: 31.814 CD1 :: 129.235 CE3 :: 120.012 CZ2 :: 115.306 CZ3 :: 121.592 CH2 :: 124.434 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.666 HA :: 5.091 HB2 :: 3.066 HB3 :: 2.991 HD1 :: 7.022 HE1 :: 10.143 HE3 :: 7.130 HZ2 :: 7.321 HZ3 :: 6.827 HH2 :: 7.073 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.208 NE1 :: 131.386 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.33 Q 0.12 E 0.03 C Shift Assignments>> C :: 176.002 CA :: 54.595 CB :: 32.755 CG :: 33.884 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.655 HA :: 3.965 HB2 :: 1.934 HB3 :: 1.711 HG2 :: 1.937 HG3 :: 2.178 HE21 :: 6.749 HE22 :: 7.522 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.943 NE2 :: 112.346 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 R 0.13 W 0.13 H 0.11 K 0.11 E 0.11 M 0.1 Q 0.06 V 0.03 C Shift Assignments>> C :: 175.990 CA :: 58.024 CB :: 31.454 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 :: 9.487 HA :: 5.011 HB2 :: 4.112 HB3 :: 3.417 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 :: 121.485 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 179.000 CA :: 55.158 CB :: 17.858 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.436 HA :: 3.702 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.728 Ave N Shift Values>> N :: 123.23(3.54) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.15 C Shift Assignments>> C :: 180.129 CA :: 58.681 CB :: 32.262 CG :: 24.810 CD :: 28.807 CE :: 42.206 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.407 HA :: 4.124 HB2 :: 1.871 HB3 :: 1.713 HG2 :: 1.410 HG3 :: 1.387 HD2 :: 1.653 HD3 :: 1.583 HE2 :: 2.888 HE3 :: 2.775 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 :: 116.216 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 V 0.2 I 0.18 P 0.18 W 0.09 E 0.02 R 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 176.439 CA :: 62.584 CB :: 30.149 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.702 HA :: 3.929 HB2 :: 2.998 HB3 :: 2.827 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 :: 117.136 Ave N Shift Values>> N :: 120.17(4.64) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.29 C Shift Assignments>> C :: 175.007 CA :: 60.160 CB :: 30.924 CG1 :: 21.620 CG2 :: 18.646 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 :: 6.932 HA :: 4.414 HB :: 2.552 HG11 :: 0.868 HG12 :: 0.868 HG13 :: 0.868 HG21 :: 0.612 HG22 :: 0.612 HG23 :: 0.612 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 :: 106.705 Ave N Shift Values>> N :: 121.14(4.54) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.19 E 0.13 Y 0.09 M 0.07 F 0.06 D 0.03 K 0.01 C Shift Assignments>> C :: 173.405 CA :: 54.147 CB :: 37.094 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.770 HA :: 4.266 HB2 :: 2.701 HB3 :: 3.036 HD21 :: 6.916 HD22 :: 6.759 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 :: 117.807 ND2 :: 111.373 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 HN Overlap>> 1.N10 1.N10 1.K51 1.K51 C Shift Assignments>> C :: 174.073 CA :: 57.695 CB :: 40.575 CD1 :: 132.920 CE1 :: 118.473 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.271 HA :: 4.440 HB2 :: 2.565 HB3 :: 2.421 HD1 :: 6.844 HD2 :: 6.844 HE1 :: 6.643 HE2 :: 6.643 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 :: 120.010 Ave N Shift Values>> N :: 120.52(4.2) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.15 K 0.08 F 0.05 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 175.663 CA :: 52.834 CB :: 41.374 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.799 HA :: 4.365 HB2 :: 2.517 HB3 :: 2.303 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.612 Ave N Shift Values>> N :: 120.65(3.86) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.11 I 0.1 Q 0.07 M 0.01 C Shift Assignments>> C :: 177.119 CA :: 58.188 CB :: 29.097 CG :: 36.055 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.792 HA :: 3.924 HB2 :: 2.015 HB3 :: 1.971 HG2 :: 2.235 HG3 :: 2.127 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 :: 125.198 Ave N Shift Values>> N :: 120.67(3.48) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.41 K 0.1 G 0.05 HN Overlap>> 1.N10 1.Y48 1.N10 1.Y48 C Shift Assignments>> C :: 177.168 CA :: 57.554 CB :: 31.487 CG :: 24.810 CD :: 27.044 CE :: 43.303 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.294 HA :: 4.070 HB2 :: 1.733 HB3 :: 1.696 HG2 :: 1.426 HG3 :: 1.482 HD2 :: 1.601 HD3 :: 1.699 HE2 :: 3.074 HE3 :: 2.890 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.048 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.15 C 0.09 Y 0.06 F 0.06 L 0.04 C Shift Assignments>> C :: 175.517 CA :: 52.975 CB :: 38.673 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.809 HA :: 4.610 HB2 :: 2.760 HB3 :: 2.500 HD21 :: 6.852 HD22 :: 7.521 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 :: 117.271 ND2 :: 112.914 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L53 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 :: 177.823 CA :: 57.202 CB :: 42.125 CG :: 27.046 CD1 :: 25.081 CD2 :: 23.794 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.764 HA :: 4.208 HB2 :: 1.703 HB3 :: 1.543 HG :: 1.518 HD11 :: 0.942 HD12 :: 0.942 HD13 :: 0.942 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 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 :: 122.015 Ave N Shift Values>> N :: 121.86(3.9) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.17 C Shift Assignments>> C :: 176.536 CA :: 56.957 CB :: 32.051 CG :: 25.013 CD :: 28.875 CE :: 42.084 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.277 HA :: 4.137 HB2 :: 1.730 HB3 :: 1.806 HG2 :: 1.387 HG3 :: 1.297 HD2 :: 1.591 HD3 :: 1.615 HE2 :: 2.929 HE3 :: 2.899 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 :: 116.437 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 175.700 CA :: 61.827 CB :: 39.166 CG1 :: 27.321 CG2 :: 17.587 CD1 :: 12.956 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 :: 7.650 HA :: 4.067 HB :: 1.793 HG12 :: 1.064 HG13 :: 1.366 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 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 :: 117.807 Ave N Shift Values>> N :: 121.46(4.28) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 C 0.29 R 0.06 G 0.01 C Shift Assignments>> CA :: 53.397 CB :: 33.601 CG :: 24.607 CD :: 29.281 CE :: 42.228 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.121 HA :: 4.755 HB2 :: 1.828 HB3 :: 1.723 HG2 :: 1.297 HG3 :: 1.388 HD2 :: 1.591 HD3 :: 1.639 HE2 :: 2.890 HE3 :: 2.929 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.286 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.69 C 0.29 C Shift Assignments>> C :: 175.213 CA :: 62.800 CB :: 32.722 CG :: 27.250 CD :: 50.699 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.250 HB2 :: 1.502 HB3 :: 2.084 HG2 :: 0.703(S) HG3 :: 1.920 HD2 :: 3.649 HD3 :: 3.753 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.F58 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.48 C Shift Assignments>> C :: 171.657 CA :: 58.140 CB :: 39.448 CD1 :: 131.538 CE1 :: 131.787 CZ :: 137.536(S) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.042 HA :: 4.247 HB2 :: 2.314 HB3 :: 2.164 HD1 :: 6.627 HD2 :: 6.627 HE1 :: 7.227 HE2 :: 7.227 HZ :: 7.997 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 :: 122.959 Ave N Shift Values>> N :: 120.45(4.18) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 F 0.3 C 0.21 C Shift Assignments>> C :: 173.915 CA :: 54.806 CB :: 41.069 CD2 :: 133.182 CE2 :: 117.549 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 :: 6.754 HA :: 5.030 HB2 :: 2.395 HB3 :: 2.227 HD1 :: 6.817 HD2 :: 6.817 HE1 :: 6.458 HE2 :: 6.458 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 :: 123.854 Ave N Shift Values>> N :: 120.52(4.2) 1.C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.13 E 0.13 C 0.12 H 0.12 R 0.09 I 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 57.300 CB :: 28.951 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.298 HA :: 4.253 HB2 :: 3.368 HB3 :: 2.544 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 :: 124.963 Ave N Shift Values>> N :: 120.17(4.64) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 178.818 CA :: 65.651 CB :: 31.991 CG :: 27.835 CD :: 50.361 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.047 HB2 :: 1.615 HB3 :: 2.273 HG2 :: 1.995 HG3 :: 1.335 HD2 :: 3.835 HD3 :: 3.712 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.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 H 0.11 R 0.11 Q 0.1 K 0.1 I 0.04 M 0.03 V 0.01 C Shift Assignments>> C :: 177.689 CA :: 58.646 CB :: 29.726 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 :: 7.843 HA :: 4.282 HB2 :: 3.163 HB3 :: 3.128 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 :: 115.532 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.2 V 0.18 P 0.12 W 0.04 C Shift Assignments>> C :: 177.204 CA :: 64.247 CB :: 29.443 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.442 HA :: 3.771 HB2 :: 2.841 HB3 :: 2.565 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 :: 124.314 Ave N Shift Values>> N :: 120.17(4.64) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.36 R 0.02 C Shift Assignments>> C :: 178.903 CA :: 57.202 CB :: 41.983 CG :: 26.639 CD1 :: 25.149 CD2 :: 24.019 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.162 HA :: 3.750 HB2 :: 1.351 HB3 :: 1.517 HG :: 1.337 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 HD21 :: 0.680 HD22 :: 0.680 HD23 :: 0.680 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 :: 119.208 Ave N Shift Values>> N :: 121.86(3.9) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 176.876 CA :: 64.077 CB :: 31.984 CG1 :: 21.465 CG2 :: 20.966 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.161 HA :: 3.749 HB :: 1.945 HG11 :: 0.891 HG12 :: 0.891 HG13 :: 0.891 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 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 :: 116.959 Ave N Shift Values>> N :: 121.14(4.54) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 177.859 CA :: 52.693 CB :: 18.736 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.408 HA :: 4.113 HB1 :: 1.233 HB2 :: 1.233 HB3 :: 1.233 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.758 Ave N Shift Values>> N :: 123.23(3.54) 1.M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.39 A 0.06 C Shift Assignments>> C :: 175.832 CA :: 55.557 CB :: 33.440 CG :: 31.601 CE :: 16.010 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 :: 7.586 HA :: 4.197 HB2 :: 1.871 HB3 :: 1.749 HG2 :: 2.266 HG3 :: 2.256 HE1 :: 1.496 HE2 :: 1.496 HE3 :: 1.496 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 :: 117.242 Ave N Shift Values>> N :: 120.09(3.57) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.28 Q 0.14 K 0.14 M 0.05 I 0.01 C Shift Assignments>> CA :: 54.384 CB :: 29.444 CG :: 35.784 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.828 HA :: 4.387 HB2 :: 1.888 HB3 :: 1.802 HG2 :: 2.217 HG3 :: 2.152 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 :: 122.546 Ave N Shift Values>> N :: 120.67(3.48) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.876 CA :: 62.994 CB :: 31.922 CG :: 27.317 CD :: 50.492 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.332 HB2 :: 1.772 HB3 :: 2.157 HG2 :: 1.884 HG3 :: 1.930 HD2 :: 3.543 HD3 :: 3.653 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.V70 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 :: 176.257 CA :: 62.133 CB :: 32.615 CG1 :: 20.694 CG2 :: 21.224 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.157 HA :: 3.993 HB :: 1.962 HG11 :: 0.847 HG12 :: 0.847 HG13 :: 0.847 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 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 :: 120.328 Ave N Shift Values>> N :: 121.14(4.54) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.619 CA :: 57.976 CB :: 63.816 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.368 HA :: 4.440 HB2 :: 3.776 HB3 :: 3.760 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.503 Ave N Shift Values>> N :: 116.28(3.52) 1.T72 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 :: 173.559 CA :: 61.499 CB :: 69.476 CG2 :: 21.597 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.141 HA :: 4.261 HB :: 4.181 HG21 :: 1.127 HG22 :: 1.127 HG23 :: 1.127 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 :: 116.281 Ave N Shift Values>> N :: 115.42(4.75) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.42 G 0.06 K 0.05 C Shift Assignments>> CA :: 57.442 CB :: 31.227 CG :: 27.026 CD :: 43.390 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 :: 7.866 HA :: 4.017 HB2 :: 1.698 HB3 :: 1.732 HG2 :: 1.602 HG3 :: 1.483 HD2 :: 3.044 HD3 :: 3.038 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 :: 127.984 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.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 67 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 62 #Suspicious: 3 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 73 #Suspicious: 0 C Shift Results: #Consistent: 282 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 461 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 68 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F9 Typing: Suspicious 1.F9 CZ = 136.760(S), Expected = 129.21, Std = 1.4300, ChiSquare = 1.2938e-07 1.F16 Typing: Suspicious 1.F16 CZ = 138.043(S), Expected = 129.21, Std = 1.4300, ChiSquare = 6.5363e-10 1.V32 HG11 = -0.264(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.5799e-05 1.V32 HG12 = -0.264(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.5799e-05 1.V32 HG13 = -0.264(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.5799e-05 1.Q33 HB3 = 0.833(S), Expected = 2.02, Std = 0.2800, ChiSquare = 2.2423e-05 1.Q33 HG3 = 1.311(S), Expected = 2.29, Std = 0.2900, ChiSquare = 7.3585e-04 1.P57 HG2 = 0.703(S), Expected = 1.93, Std = 0.3100, ChiSquare = 7.5560e-05 1.F58 Typing: Suspicious 1.F58 CZ = 137.536(S), Expected = 129.21, Std = 1.4300, ChiSquare = 5.8016e-09