#Date: Wed May 20 14:37:52 2015

#Files used: /share/apps/genapp/sassie2/results/users/skrueger/contrast_calc_tests/msp1d1_sequence.txt (2)

#Chemical formulas used: 1. H10660C5460P130O1040N130

#Solvent Components:
#Component, molar conc, volume (A^3), Mw (kDA), x-ray SL, neutron SL (10^-12 cm), x-ray SLD, neutron SLD (10^10 cm^-2)
#	H2O	 55.51	 29.9	 0.018	  2.820	 -0.168	  9.428	 -0.561

#XRAY Contrast (10^10 cm^-2):
#Protein, Molecule 1, Complex
#  3.001	 -0.042	  0.971

#NEUTRON Contrast:
#Molecule 1 Match Point: 11.85 %D2O
#Protein Match Point: 44.16 %D2O
#Complex Match Point: 21.19 %D2O

#Fraction of exchanged protein hydrogens: 0.95
#Fraction of exchanged nucleic acid hydrogens: 1.00
#Fraction of exchanged molecule 1 hydrogens: 0.00

#NEUTRON Contrast (10^10 cm^-2):
# frac D2O, Protein, Molecule 1, Complex
 0.00	  2.490	  0.825	  1.380
 0.05	  2.209	  0.477	  1.054
 0.10	  1.928	  0.129	  0.728
 0.15	  1.646	 -0.219	  0.403
 0.20	  1.364	 -0.567	  0.077
 0.25	  1.083	 -0.915	 -0.248
 0.30	  0.801	 -1.263	 -0.574
 0.35	  0.519	 -1.612	 -0.900
 0.40	  0.237	 -1.960	 -1.225
 0.45	 -0.045	 -2.308	 -1.551
 0.50	 -0.328	 -2.656	 -1.877
 0.55	 -0.610	 -3.004	 -2.202
 0.60	 -0.892	 -3.352	 -2.528
 0.65	 -1.175	 -3.700	 -2.854
 0.70	 -1.458	 -4.048	 -3.179
 0.75	 -1.741	 -4.396	 -3.505
 0.80	 -2.023	 -4.744	 -3.831
 0.85	 -2.306	 -5.092	 -4.157
 0.90	 -2.590	 -5.441	 -4.482
 0.95	 -2.873	 -5.789	 -4.808
 1.00	 -3.156	 -6.137	 -5.134