M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.39 A 0.13 C Shift Assignments>> C :: 175.770 CA :: 55.497 CB :: 32.787 CG :: 32.038 CE :: 16.795 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.127 HA :: 4.502 HB2 :: 2.103 HB3 :: 2.006 HG2 :: 2.614 HG3 :: 2.570 HE :: 2.125 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.674 Ave N Shift Values>> N :: 120.1(3.88) A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 176.977 CA :: 52.304 CB :: 19.339 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.316 HA :: 4.304 HB :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.924 Ave N Shift Values>> N :: 123.23(3.7) A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 175.540 CA :: 50.432 CB :: 18.279 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.274 HA :: 4.589 HB :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.105 Ave N Shift Values>> N :: 123.23(3.7) P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.987 CA :: 63.100 CB :: 32.114 CG :: 27.441 CD :: 50.451 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.408 HB2 :: 2.294 HB3 :: 2.001 HG2 :: 1.981 HG3 :: 1.981 HD2 :: 3.705 HD3 :: 3.705 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 C Shift Assignments>> C :: 178.535 CA :: 52.720 CB :: 19.274 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.487 HA :: 4.319 HB :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.031 Ave N Shift Values>> N :: 123.23(3.7) G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 HN Overlap>> G8 C Shift Assignments>> C :: 174.919 CA :: 45.523 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.433 HA2 :: 3.993 HA3 :: 3.993 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.688 Ave N Shift Values>> N :: 109.91(4.29) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 HN Overlap>> G8 C Shift Assignments>> C :: 174.875 CA :: 45.381 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.305 HA2 :: 3.992 HA3 :: 3.992 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.721 Ave N Shift Values>> N :: 109.91(4.29) G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 HN Overlap>> G6 G7 C Shift Assignments>> C :: 174.533 CA :: 45.241 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.373 HA2 :: 3.995 HA3 :: 3.995 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.715 Ave N Shift Values>> N :: 109.91(4.29) G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.794 CA :: 45.033 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.263 HA2 :: 4.019 HA3 :: 4.019 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.608 Ave N Shift Values>> N :: 109.91(4.29) S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.159 CA :: 57.424 CB :: 64.783 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.125 HA :: 4.725 HB2 :: 3.390 HB3 :: 3.442 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.955 Ave N Shift Values>> N :: 116.3(3.95) A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.24 M 0.14 C 0.12 K 0.01 C Shift Assignments>> C :: 175.103 CA :: 51.510 CB :: 22.050 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.630 HA :: 4.883 HB :: 1.175 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.492 Ave N Shift Values>> N :: 123.23(3.7) V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.21 C Shift Assignments>> C :: 174.019 CA :: 59.249 CB :: 35.049 CG1 :: 23.716 CG2 :: 20.060 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.398 HA :: 4.653 HB :: 2.154 HG1 :: 0.800 HG2 :: 0.665 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.196 Ave N Shift Values>> N :: 121.02(4.96) S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.600 CA :: 56.371 CB :: 65.439 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.553 HA :: 5.323 HB2 :: 3.680 HB3 :: 3.611 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.831 Ave N Shift Values>> N :: 116.3(3.95) V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.137 CA :: 61.095 CB :: 34.205 CG1 :: 21.542 CG2 :: 23.255 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.337 HA :: 4.465 HB :: 2.167 HG1 :: 0.740 HG2 :: 0.665 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.794 Ave N Shift Values>> N :: 121.02(4.96) L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.22 R 0.12 G 0.06 A 0.02 C Shift Assignments>> C :: 175.124 CA :: 54.321 CB :: 43.007 CG :: 27.109 CD1 :: 26.040 CD2 :: 23.568 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.810 HA :: 4.682 HB2 :: 1.944 HB3 :: 1.437 HG :: 1.540 HD1 :: 0.877 HD2 :: 0.779 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.180 Ave N Shift Values>> N :: 121.98(4.07) A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 177.246 CA :: 50.472 CB :: 18.119 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.847 HA :: 4.902 HB :: 1.351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.389 Ave N Shift Values>> N :: 123.23(3.7) P17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 176.068 CA :: 64.570 CB :: 31.655 CG :: 28.047 CD :: 50.270 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.409 HB2 :: 1.780 HB3 :: 2.446 HG2 :: 1.429 HG3 :: 1.245 HD2 :: 3.341 HD3 :: 2.104(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.22 D 0.06 Y 0.05 F 0.03 E 0.03 M 0.02 C Shift Assignments>> C :: 176.463 CA :: 52.213 CB :: 37.468 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.211 HA :: 4.765 HB2 :: 3.409 HB3 :: 3.062 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 111.236 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.914 CA :: 45.611 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.348 HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.842 Ave N Shift Values>> N :: 109.91(4.29) R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.34 K 0.15 G 0.06 C Shift Assignments>> C :: 174.938 CA :: 55.476 CB :: 30.914 CG :: 27.407 CD :: 43.218 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.434 HA :: 4.382 HB2 :: 1.756 HB3 :: 1.756 HG2 :: 1.446 HG3 :: 1.530 HD2 :: 3.185 HD3 :: 3.185 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.140 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.32 K 0.25 G 0.07 C Shift Assignments>> C :: 175.658 CA :: 55.039 CB :: 32.112 CG :: 28.889 CD :: 43.284 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.549 HA :: 5.186 HB2 :: 1.629 HB3 :: 1.629 HG2 :: 1.386 HG3 :: 1.603 HD2 :: 3.145 HD3 :: 3.145 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.391 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 W 0.19 H 0.17 C Shift Assignments>> C :: 174.423 CA :: 55.256 CB :: 34.631 CD2 :: 120.211 CE1 :: 138.957 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.978 HA :: 4.930 HB2 :: 3.066 HB3 :: 2.827 HD2 :: 6.933 HE1 :: 7.699 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 126.048 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.523 CA :: 62.599 CB :: 69.538 CG2 :: 21.724 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.341 HA :: 4.853 HB :: 3.857 HG2 :: 1.014 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.747 Ave N Shift Values>> N :: 115.7(5.05) V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.42 M 0.06 C Shift Assignments>> C :: 174.674 CA :: 61.002 CB :: 34.770 CG1 :: 21.518 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.814 HA :: 4.138 HB :: 1.689 HG1 :: 0.884 HG2 :: 0.884 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.277 Ave N Shift Values>> N :: 121.02(4.96) K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.2 M 0.03 C Shift Assignments>> C :: 176.154 CA :: 56.622 CB :: 32.426 CG :: 25.085 CD :: 29.079 CE :: 42.006 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.501 HA :: 4.404 HB2 :: 1.668 HB3 :: 1.739 HG2 :: 1.273 HG3 :: 1.477 HD2 :: 1.615 HD3 :: 1.615 HE2 :: 2.912 HE3 :: 2.912 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.934 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.96 V 0.02 C Shift Assignments>> C :: 174.214 CA :: 59.022 CB :: 34.979 CG1 :: 21.913 CG2 :: 16.169 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.847 HA :: 4.482 HB :: 1.316 HG1 :: 0.247 HG2 :: -0.880(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.958 Ave N Shift Values>> N :: 121.02(4.96) T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.18 C Shift Assignments>> C :: 173.652 CA :: 58.925 CB :: 68.784 CG2 :: 21.414 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.429 HA :: 4.780 HB :: 4.601 HG2 :: 1.095 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.214 Ave N Shift Values>> N :: 115.7(5.05) P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 176.416 CA :: 66.687 CB :: 32.677 CG :: 28.250 CD :: 50.339 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.366 HB2 :: 2.461 HB3 :: 2.013 HG2 :: 2.224 HG3 :: 2.224 HD2 :: 3.846 HD3 :: 3.846 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.710 CA :: 57.817 CB :: 63.909 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.496 HA :: 4.665 HB2 :: 3.992 HB3 :: 3.791 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 105.692 Ave N Shift Values>> N :: 116.3(3.95) T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 173.650 CA :: 65.274 CB :: 70.401 CG2 :: 21.727 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.073 HA :: 4.016 HB :: 4.134 HG2 :: 1.258 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.630 Ave N Shift Values>> N :: 115.7(5.05) V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.34 K 0.04 M 0.04 C Shift Assignments>> C :: 178.745 CA :: 61.317 CB :: 32.918 CG1 :: 22.596 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.719 HA :: 4.748 HB :: 2.162 HG1 :: 1.153 HG2 :: 1.153 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.714 Ave N Shift Values>> N :: 121.02(4.96) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.23 R 0.16 C Shift Assignments>> C :: 179.490 CA :: 58.981 CB :: 41.346 CG :: 27.680 CD1 :: 21.992 CD2 :: 26.116 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.755 HA :: 3.962 HB2 :: 2.192 HB3 :: 1.336 HG :: 2.003 HD1 :: 0.844 HD2 :: 0.974 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.410 Ave N Shift Values>> N :: 121.98(4.07) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.34 R 0.12 G 0.01 C Shift Assignments>> C :: 178.042 CA :: 58.667 CB :: 42.265 CG :: 27.058 CD1 :: 25.844 CD2 :: 23.409 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.793 HA :: 4.122 HB2 :: 1.657 HB3 :: 1.643 HG :: 1.622 HD1 :: 0.902 HD2 :: 1.039 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.967 Ave N Shift Values>> N :: 121.98(4.07) Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.24 K 0.19 Q 0.17 R 0.02 M 0.01 C Shift Assignments>> C :: 179.192 CA :: 59.074 CB :: 28.694 CG :: 34.939 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.984 HA :: 4.197 HB2 :: 2.214 HB3 :: 2.465 HG2 :: 2.512 HG3 :: 2.512 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.389 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.849 CA :: 65.885 CB :: 30.975 CG1 :: 21.969 CG2 :: 21.882 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.485 HA :: 3.677 HB :: 2.507 HG1 :: 0.830 HG2 :: 0.706 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.836 Ave N Shift Values>> N :: 121.02(4.96) L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.34 L 0.22 R 0.03 G 0.01 C Shift Assignments>> C :: 178.718 CA :: 58.506 CB :: 42.055 CD1 :: 27.393 CD2 :: 23.748 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.443 HA :: 4.065 HB2 :: 1.413 HB3 :: 2.348 HG :: 1.572 HD1 :: 1.160 HD2 :: 0.848 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.858 Ave N Shift Values>> N :: 121.98(4.07) E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 E 0.36 K 0.02 M 0.01 C Shift Assignments>> C :: 179.127 CA :: 61.106 CB :: 29.930 CG :: 37.335 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.174 HA :: 3.755 HB2 :: 2.046 HB3 :: 2.211 HG2 :: 2.588 HG3 :: 2.092 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.524 Ave N Shift Values>> N :: 120.68(3.68) D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 R 0.18 F 0.15 L 0.14 C 0.13 Y 0.11 D 0.04 C Shift Assignments>> C :: 178.498 CA :: 58.177 CB :: 42.241 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.555 HA :: 4.363 HB2 :: 2.928 HB3 :: 2.735 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.660 Ave N Shift Values>> N :: 120.73(4.2) T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.874 CA :: 67.383 CB :: 68.509 CG2 :: 21.899 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.517 HA :: 3.434 HB :: 4.256 HG2 :: 1.008 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.019 Ave N Shift Values>> N :: 115.7(5.05) C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.89 C 0.07 V 0.01 C Shift Assignments>> C :: 176.846 CA :: 65.721 CB :: 26.867 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.410 HA :: 3.963 HB2 :: 3.012 HB3 :: 3.353 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.314 Ave N Shift Values>> N :: 119.95(4.79) R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.1 G 0.08 C Shift Assignments>> C :: 178.672 CA :: 58.969 CB :: 30.176 CG :: 28.041 CD :: 43.394 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.288 HA :: 4.247 HB2 :: 1.932 HB3 :: 2.039 HG2 :: 1.820 HG3 :: 1.711 HD2 :: 3.245 HD3 :: 3.300 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.515 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.15 G 0.02 L 0.02 C Shift Assignments>> C :: 177.534 CA :: 57.406 CB :: 29.949 CG :: 27.137 CD :: 42.658 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.533 HA :: 4.171 HB2 :: 1.729 HB3 :: 1.606 HG2 :: 1.712 HG3 :: 1.620 HD2 :: 3.178 HD3 :: 3.044 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.631 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.26 C 0.24 M 0.08 R 0.07 E 0.05 C Shift Assignments>> C :: 173.422 CA :: 54.577 CB :: 29.176 CG :: 33.341 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.639 HA :: 4.364 HB2 :: 1.520 HB3 :: 2.243 HG2 :: 2.099 HG3 :: 2.043 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.040 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Y 0.19 N 0.18 F 0.15 D 0.15 L 0.05 E 0.03 C Shift Assignments>> C :: 174.092 CA :: 55.414 CB :: 38.825 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.578 HA :: 4.284 HB2 :: 2.919 HB3 :: 2.378 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.827 Ave N Shift Values>> N :: 120.73(4.2) F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 F 0.27 G 0.25 Y 0.18 C Shift Assignments>> C :: 174.579 CA :: 56.461 CB :: 43.873 CD1 :: 131.524 CE1 :: 131.293 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.009 HA :: 4.810 HB2 :: 2.463 HB3 :: 3.057 HD1 :: 7.051 HD2 :: 7.051 HE1 :: 7.215 HE2 :: 7.215 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.027 Ave N Shift Values>> N :: 120.69(4.18) N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.18 D 0.18 Y 0.02 F 0.02 L 0.02 C Shift Assignments>> C :: 175.060 CA :: 50.055 CB :: 39.253 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.184 HA :: 5.192 HB2 :: 2.880 HB3 :: 3.143 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.804 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.618 CA :: 65.688 CB :: 32.168 CG :: 27.464 CD :: 51.138 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.635 HB2 :: 2.177 HB3 :: 2.177 HG2 :: 2.266 HG3 :: 2.164 HD2 :: 4.220 HD3 :: 4.030 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.335 CA :: 60.663 CB :: 63.202 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.871 HA :: 4.300 HB2 :: 3.899 HB3 :: 3.950 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.572 Ave N Shift Values>> N :: 116.3(3.95) E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.42 M 0.09 K 0.03 C Shift Assignments>> C :: 176.010 CA :: 56.169 CB :: 30.437 CG :: 37.201 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.735 HA :: 4.112 HB2 :: 1.991 HB3 :: 1.862 HG2 :: 2.129 HG3 :: 2.129 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.918 Ave N Shift Values>> N :: 120.68(3.68) Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.31 Y 0.25 C Shift Assignments>> C :: 172.409 CA :: 58.893 CB :: 44.186 CD1 :: 133.121 CE1 :: 118.119 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.558 HA :: 4.999 HB2 :: 2.348 HB3 :: 2.972 HD1 :: 6.893 HD2 :: 6.893 HE1 :: 6.757 HE2 :: 6.757 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.290 Ave N Shift Values>> N :: 120.79(4.69) D51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.15 L 0.07 C Shift Assignments>> C :: 177.020 CA :: 53.029 CB :: 46.551(S) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.132 HA :: 5.085 HB2 :: 2.273 HB3 :: 2.777 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.212 Ave N Shift Values>> N :: 120.73(4.2) L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.33 L 0.21 C Shift Assignments>> C :: 175.072 CA :: 53.488 CB :: 46.619 CG :: 26.481 CD1 :: 25.372 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.653 HA :: 5.220 HB2 :: 1.734 HB3 :: 1.275 HG :: 1.686 HD1 :: 0.776 HD2 :: 0.776 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.740 Ave N Shift Values>> N :: 121.98(4.07) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.34 K 0.11 M 0.01 C Shift Assignments>> C :: 175.156 CA :: 54.627 CB :: 37.510 CG :: 25.319 CD :: 30.254 CE :: 41.760 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.156 HA :: 5.274 HB2 :: 1.474 HB3 :: 1.690 HG2 :: 1.158 HG3 :: 1.158 HD2 :: 1.571 HD3 :: 1.571 HE2 :: 2.889 HE3 :: 2.717 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.471 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 C 0.38 F 0.08 G 0.04 C Shift Assignments>> C :: 174.623 CA :: 56.002 CB :: 42.573 CD1 :: 132.466 CE1 :: 133.379(M) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.612 HA :: 5.120 HB2 :: 2.834 HB3 :: 2.980 HD1 :: 7.403 HD2 :: 7.403 HE1 :: 7.188 HE2 :: 7.188 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.177 Ave N Shift Values>> N :: 120.69(4.18) Q55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 K 0.35 Q 0.09 R 0.09 M 0.03 V 0.02 C Shift Assignments>> C :: 175.379 CA :: 58.182 CB :: 25.383 CG :: 33.514 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.246 HA :: 3.504 HB2 :: 1.956 HB3 :: 1.744 HG2 :: 1.623 HG3 :: 1.041(S) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.119 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.1 G 0.07 L 0.01 C Shift Assignments>> C :: 176.374 CA :: 56.695 CB :: 30.150 CG :: 27.603 CD :: 43.396 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.309 HA :: 4.332 HB2 :: 1.848 HB3 :: 2.113 HG2 :: 1.587 HG3 :: 1.587 HD2 :: 3.182 HD3 :: 3.182 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.518 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.423 CA :: 62.426 CB :: 71.158 CG2 :: 21.675 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.435 HA :: 4.483 HB :: 4.306 HG2 :: 1.260 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.192 Ave N Shift Values>> N :: 115.7(5.05) V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.16 C Shift Assignments>> C :: 176.315 CA :: 63.653 CB :: 31.590 CG1 :: 21.986 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.726 HA :: 4.159 HB :: 1.995 HG1 :: 0.945 HG2 :: 0.945 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.077 Ave N Shift Values>> N :: 121.02(4.96) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 G 0.09 A 0.04 R 0.01 C Shift Assignments>> C :: 176.541 CA :: 54.710 CB :: 43.217 CG :: 27.154 CD1 :: 22.980 CD2 :: 22.954 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.685 HA :: 4.366 HB2 :: 1.649 HB3 :: 1.221 HG :: 1.779 HD1 :: 0.938 HD2 :: 0.865 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.546 Ave N Shift Values>> N :: 121.98(4.07) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.27 C 0.12 L 0.11 F 0.07 Y 0.06 K 0.03 C Shift Assignments>> C :: 176.481 CA :: 53.142 CB :: 40.240 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.328 HA :: 4.595 HB2 :: 2.639 HB3 :: 2.998 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.175 Ave N Shift Values>> N :: 120.73(4.2) L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.42 R 0.06 K 0.01 A 0.01 C Shift Assignments>> C :: 176.716 CA :: 56.188 CB :: 40.810 CG :: 26.772 CD1 :: 23.557 CD2 :: 27.223 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.459 HA :: 4.126 HB2 :: 1.914 HB3 :: 1.361 HG :: 2.166 HD1 :: 0.793 HD2 :: 1.114 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.242 Ave N Shift Values>> N :: 121.98(4.07) S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.339 CA :: 59.432 CB :: 64.359 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.690 HA :: 4.424 HB2 :: 4.052 HB3 :: 3.902 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.065 Ave N Shift Values>> N :: 116.3(3.95) L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.27 G 0.12 A 0.03 C Shift Assignments>> C :: 177.578 CA :: 55.257 CB :: 43.471 CG :: 26.507 CD1 :: 22.960 CD2 :: 23.030 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.414 HA :: 4.374 HB2 :: 1.834 HB3 :: 1.357 HG :: 1.753 HD1 :: 0.861 HD2 :: 1.046 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.593 Ave N Shift Values>> N :: 121.98(4.07) Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.2 Q 0.2 M 0.18 K 0.12 C Shift Assignments>> C :: 178.571 CA :: 55.451 CB :: 30.525 CG :: 34.717 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.042 HA :: 4.778 HB2 :: 1.904 HB3 :: 2.444 HG2 :: 2.710 HG3 :: 2.401 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.997 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.39 H 0.01 C Shift Assignments>> C :: 178.834 CA :: 61.142 CB :: 29.614 CD1 :: 126.015 CE3 :: 118.406 CZ2 :: 114.840 CZ3 :: 122.187 CH2 :: 125.560 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.372 HA :: 3.979 HB2 :: 3.121 HB3 :: 3.565 HD1 :: 6.761 HE3 :: 7.095 HZ2 :: 7.148 HZ3 :: 6.653 HH2 :: 6.925 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.604 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) R66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 R 0.25 K 0.16 G 0.12 L 0.08 C Shift Assignments>> C :: 176.523 CA :: 57.997 CB :: 29.512 CG :: 24.829 CD :: 43.729 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.765 HA :: 4.053 HB2 :: 1.706 HB3 :: 1.557 HG2 :: 0.077(S) HG3 :: 1.003 HD2 :: 2.629 HD3 :: 2.779 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.233 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.34 F 0.16 C Shift Assignments>> C :: 175.517 CA :: 56.325 CB :: 40.390 CD1 :: 131.469 CE1 :: 133.194 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.757 HA :: 5.087 HB2 :: 2.748 HB3 :: 3.625 HD1 :: 7.345 HD2 :: 7.345 HE1 :: 7.132 HE2 :: 7.132 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.550 Ave N Shift Values>> N :: 120.69(4.18) A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 C 0.02 C Shift Assignments>> C :: 175.823 CA :: 53.149 CB :: 18.945 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.523 HA :: 4.144 HB :: 1.150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.342 Ave N Shift Values>> N :: 123.23(3.7) N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.26 E 0.1 Y 0.09 F 0.05 M 0.05 D 0.05 K 0.01 C Shift Assignments>> C :: 173.800 CA :: 53.801 CB :: 37.139 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.156 HA :: 4.029 HB2 :: 2.986 HB3 :: 2.571 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.501 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.26 C 0.16 A 0.05 R 0.02 C Shift Assignments>> C :: 174.113 CA :: 50.674 CB :: 43.115 CG :: 25.802 CD1 :: 26.508 CD2 :: 23.411 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.668 HA :: 4.365 HB2 :: 0.811 HB3 :: 0.589 HG :: 1.172 HD1 :: 0.600 HD2 :: 0.171 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.386 Ave N Shift Values>> N :: 121.98(4.07) P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.192 CA :: 61.684 CB :: 32.158 CG :: 26.980 CD :: 50.365 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.467 HB2 :: 2.018 HB3 :: 2.263 HG2 :: 1.903 HG3 :: 2.248 HD2 :: 2.948 HD3 :: 3.560 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.22 Y 0.13 D 0.11 F 0.09 E 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 176.694 CA :: 54.383 CB :: 38.077 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.527 HA :: 4.694 HB2 :: 2.904 HB3 :: 2.783 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.086 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.22 E 0.15 Y 0.12 F 0.06 M 0.06 D 0.03 K 0.02 C Shift Assignments>> C :: 174.917 CA :: 54.707 CB :: 37.044 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.800 HA :: 4.421 HB2 :: 2.962 HB3 :: 2.902 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.843 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.31 C 0.03 L 0.01 C Shift Assignments>> C :: 175.612 CA :: 53.708 CB :: 19.407 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.498 HA :: 4.111 HB :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.565 Ave N Shift Values>> N :: 123.23(3.7) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.33 R 0.22 M 0.03 C Shift Assignments>> C :: 175.578 CA :: 55.741 CB :: 32.219 CG :: 25.306 CD :: 29.554 CE :: 42.066 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.217 HA :: 4.865 HB2 :: 1.922 HB3 :: 1.962 HG2 :: 1.341 HG3 :: 1.699 HD2 :: 1.749 HD3 :: 1.749 HE2 :: 3.035 HE3 :: 3.035 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.372 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.34 C 0.17 R 0.05 C Shift Assignments>> C :: 177.139 CA :: 52.890 CB :: 44.659 CG :: 27.625 CD1 :: 26.081 CD2 :: 24.599 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.087 HA :: 5.375 HB2 :: 1.946 HB3 :: 1.416 HG :: 1.860 HD1 :: 0.832 HD2 :: 0.957 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.679 Ave N Shift Values>> N :: 121.98(4.07) E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.21 E 0.17 C Shift Assignments>> C :: 175.621 CA :: 55.638 CB :: 33.371 CG :: 36.530 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.105 HA :: 4.920 HB2 :: 1.911 HB3 :: 2.008 HG2 :: 2.203 HG3 :: 2.203 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.664 Ave N Shift Values>> N :: 120.68(3.68) M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.44 A 0.09 C Shift Assignments>> C :: 175.641 CA :: 55.777 CB :: 34.911 CG :: 31.517 CE :: 16.510 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.074 HA :: 5.179 HB2 :: 1.603 HB3 :: 1.770 HG2 :: 2.062 HG3 :: 2.062 HE :: 0.873 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.483 Ave N Shift Values>> N :: 120.1(3.88) V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.24 A 0.04 C Shift Assignments>> C :: 172.274 CA :: 57.942 CB :: 34.232 CG1 :: 19.542 CG2 :: 22.055 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.829 HA :: 5.063 HB :: 2.161 HG1 :: 0.815 HG2 :: 0.921 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.254 Ave N Shift Values>> N :: 121.02(4.96) P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.613 CA :: 63.321 CB :: 32.072 CG :: 28.203 CD :: 50.912 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.304 HB2 :: 1.826 HB3 :: 2.292 HG2 :: 2.035 HG3 :: 2.175 HD2 :: 3.991 HD3 :: 3.742 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.24 M 0.03 C Shift Assignments>> C :: 176.034 CA :: 62.447 CB :: 32.451 CG1 :: 20.571 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.656 HA :: 3.993 HB :: 1.775 HG1 :: 0.755 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.470 Ave N Shift Values>> N :: 121.02(4.96) S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.621 CA :: 58.716 CB :: 63.739 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.418 HA :: 4.434 HB2 :: 3.867 HB3 :: 3.867 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.765 Ave N Shift Values>> N :: 116.3(3.95) R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.11 G 0.07 C Shift Assignments>> C :: 175.938 CA :: 55.594 CB :: 31.205 CG :: 27.030 CD :: 43.388 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.132 HA :: 4.452 HB2 :: 1.763 HB3 :: 1.877 HG2 :: 1.606 HG3 :: 1.606 HD2 :: 3.168 HD3 :: 3.168 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.090 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.890 CA :: 58.853 CB :: 63.634 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.423 HA :: 4.347 HB2 :: 3.881 HB3 :: 3.835 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.722 Ave N Shift Values>> N :: 116.3(3.95) R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.11 G 0.08 C Shift Assignments>> C :: 176.299 CA :: 56.313 CB :: 30.947 CG :: 27.371 CD :: 43.492 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.538 HA :: 4.390 HB2 :: 1.724 HB3 :: 1.888 HG2 :: 1.624 HG3 :: 1.624 HD2 :: 3.184 HD3 :: 3.184 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.733 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.13 K 0.06 Q 0.03 C Shift Assignments>> C :: 176.530 CA :: 56.574 CB :: 30.618 CG :: 36.362 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.375 HA :: 4.334 HB2 :: 2.087 HB3 :: 1.930 HG2 :: 2.268 HG3 :: 2.268 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.675 Ave N Shift Values>> N :: 120.68(3.68) G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.853 CA :: 44.627 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.254 HA2 :: 4.141 HA3 :: 4.091 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.181 Ave N Shift Values>> N :: 109.91(4.29) P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.186 CA :: 63.245 CB :: 32.243 CG :: 27.224 CD :: 49.857 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.464 HB2 :: 2.292 HB3 :: 1.987 HG2 :: 2.022 HG3 :: 2.022 HD2 :: 3.634 HD3 :: 3.634 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.1 K 0.07 Q 0.04 C Shift Assignments>> C :: 175.560 CA :: 56.800 CB :: 30.350 CG :: 36.378 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.594 HA :: 4.273 HB2 :: 2.096 HB3 :: 1.939 HG2 :: 2.278 HG3 :: 2.278 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.209 Ave N Shift Values>> N :: 120.68(3.68) N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.16 C 0.12 F 0.11 N 0.11 Y 0.1 K 0.09 R 0.01 C Shift Assignments>> C :: 179.485 CA :: 54.852 CB :: 40.638 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.960 HA :: 4.450 HB2 :: 2.673 HB3 :: 2.761 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.668 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 84 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 90 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 90 #Suspicious: 0 C Shift Results: #Consistent: 376 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 499 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 83 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: P17 HD3 = 2.104(S), Expected = 3.63, Std = 0.4000, ChiSquare = 1.3618e-04 V26 HG2 = -0.880(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.7118e-09 D51 CB = 46.551(S), Expected = 40.70, Std = 1.6700, ChiSquare = 4.5903e-04 F54 CE1 = 133.379(M), Expected = 130.48, Std = 1.2900, ChiSquare = 2.4622e-02 Q55 HG3 = 1.041(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.0321e-05 R66 HG2 = 0.077(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.5966e-08